2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine

C70H68ClN19O8S — CID 162076790

IUPAC2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCC(=O)Nc1ncc(-c2ccc(C)o2)cn1.CNc1ncc(-c2ccc(C)o2)cn1.CSc1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(Cl)nc2)o1.Cc1ccc(-c2cnc(N(C)C)nc2)o1.Cc1ccc(-c2cnc(N)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C11H11N3O2.C11H13N3O.C10H11N3O.C10H7N3O.C10H10N2OS.C9H7ClN2O.C9H9N3O/c1-7-3-4-10(16-7)9-5-12-11(13-6-9)14-8(2)15;1-8-4-5-10(15-8)9-6-12-11(13-7-9)14(2)3;2*1-7-3-4-9(14-7)8-5-12-10(11-2)13-6-8;1-7-3-4-9(13-7)8-5-11-10(14-2)12-6-8;2*1-6-2-3-8(13-6)7-4-11-9(10)12-5-7/h3-6H,1-2H3,(H,12,13,14,15);4-7H,1-3H3;3-6H,1-2H3,(H,11,12,13);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3,(H2,10,11,12)
InChIKeyZBUSKGCVLIAFBZ-UHFFFAOYSA-N
MW1370.96 g/mol
LogP15.89
Rot. Bonds11

About 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine

2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 162076790) has the molecular formula C70H68ClN19O8S and a molecular weight of 1370.96 g/mol. Its IUPAC name is 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID162076790
Molecular FormulaC70H68ClN19O8S
Molecular Weight1370.96 g/mol
Exact Mass1369.49
IUPAC Name2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCC(=O)Nc1ncc(-c2ccc(C)o2)cn1.CNc1ncc(-c2ccc(C)o2)cn1.CSc1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(Cl)nc2)o1.Cc1ccc(-c2cnc(N(C)C)nc2)o1.Cc1ccc(-c2cnc(N)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C11H11N3O2.C11H13N3O.C10H11N3O.C10H7N3O.C10H10N2OS.C9H7ClN2O.C9H9N3O/c1-7-3-4-10(16-7)9-5-12-11(13-6-9)14-8(2)15;1-8-4-5-10(15-8)9-6-12-11(13-7-9)14(2)3;2*1-7-3-4-9(14-7)8-5-12-10(11-2)13-6-8;1-7-3-4-9(13-7)8-5-11-10(14-2)12-6-8;2*1-6-2-3-8(13-6)7-4-11-9(10)12-5-7/h3-6H,1-2H3,(H,12,13,14,15);4-7H,1-3H3;3-6H,1-2H3,(H,11,12,13);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3,(H2,10,11,12)
InChIKeyZBUSKGCVLIAFBZ-UHFFFAOYSA-N
XLogP15.89
TPSA347.19 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.96
LogP ≤ 515.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine with MolForge

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Related Compounds

bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal
CID 158326716
1-[4-(5-Methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine
CID 159220615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 162076790) is 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine is CC(=O)Nc1ncc(-c2ccc(C)o2)cn1.CNc1ncc(-c2ccc(C)o2)cn1.CSc1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(Cl)nc2)o1.Cc1ccc(-c2cnc(N(C)C)nc2)o1.Cc1ccc(-c2cnc(N)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(C)o2)cn1.
What is the InChIKey of 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is ZBUSKGCVLIAFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.C11H13N3O.C10H11N3O.C10H7N3O.C10H10N2OS.C9H7ClN2O.C9H9N3O/c1-7-3-4-10(16-7)9-5-12-11(13-6-9)14-8(2)15;1-8-4-5-10(15-8)9-6-12-11(13-7-9)14(2)3;2*1-7-3-4-9(14-7)8-5-12-10(11-2)13-6-8;1-7-3-4-9(13-7)8-5-11-10(14-2)12-6-8;2*1-6-2-3-8(13-6)7-4-11-9(10)12-5-7/h3-6H,1-2H3,(H,12,13,14,15);4-7H,1-3H3;3-6H,1-2H3,(H,11,12,13);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3,(H2,10,11,12).
What are the key properties of 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine?
2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 1370.96 g/mol, XLogP of 15.89, 11 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 162076790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).