2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine

C11H11ClFN3O — CID 22061093

IUPAC2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)ncc2F)c(C)o1
InChIInChI=1S/C11H11ClFN3O/c1-6-3-8(7(2)17-6)4-14-10-9(13)5-15-11(12)16-10/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyYIMAYCOZURVSKG-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 22061093) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID22061093
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)ncc2F)c(C)o1
InChIInChI=1S/C11H11ClFN3O/c1-6-3-8(7(2)17-6)4-14-10-9(13)5-15-11(12)16-10/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyYIMAYCOZURVSKG-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3234792
2,5-dimethyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]furan-3-carboxamide
CID 91626387
5-(2-Furanylmethyl)-2,4-pyrimidinediamine
CID 13058921
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 45176226
2-chloro-5-fluoro-N4-(furfuryl)-4-pyrimidineamine
CID 22060737
5-fluoro-N-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethoxy)pyrimidin-4-amine
CID 57818963
2-(2-Fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine
CID 59517822
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 69925582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine (CID 22061093) is 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine is Cc1cc(CNc2nc(Cl)ncc2F)c(C)o1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is YIMAYCOZURVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-3-8(7(2)17-6)4-14-10-9(13)5-15-11(12)16-10/h3,5H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 255.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 22061093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).