4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C13H18N4OS — CID 80781028

IUPAC4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(C)o2)nc(SC)n1
InChIInChI=1S/C13H18N4OS/c1-9-5-6-10(18-9)8-17(3)12-7-11(14-2)15-13(16-12)19-4/h5-7H,8H2,1-4H3,(H,14,15,16)
InChIKeySAJVKDLRKLPHQS-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.78
Rot. Bonds5

About 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80781028) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80781028
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(C)o2)nc(SC)n1
InChIInChI=1S/C13H18N4OS/c1-9-5-6-10(18-9)8-17(3)12-7-11(14-2)15-13(16-12)19-4/h5-7H,8H2,1-4H3,(H,14,15,16)
InChIKeySAJVKDLRKLPHQS-UHFFFAOYSA-N
XLogP2.78
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781793
2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80781469
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
6-hydrazinyl-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80907155
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717523
4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80799509
4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838856
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
N-methyl-6-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 62280117
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80781028) is 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccc(C)o2)nc(SC)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is SAJVKDLRKLPHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-5-6-10(18-9)8-17(3)12-7-11(14-2)15-13(16-12)19-4/h5-7H,8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).