2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile

C11H7F2N5O — CID 169398963

IUPAC2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1c(O)ccc(F)c1F
InChIInChI=1S/C11H7F2N5O/c12-5-1-2-6(19)7(8(5)13)9-4(3-14)10(15)18-11(16)17-9/h1-2,19H,(H4,15,16,17,18)
InChIKeyYCZJEWJCOIMFQK-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.16
Rot. Bonds1

About 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 169398963) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
PubChem CID169398963
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1c(O)ccc(F)c1F
InChIInChI=1S/C11H7F2N5O/c12-5-1-2-6(19)7(8(5)13)9-4(3-14)10(15)18-11(16)17-9/h1-2,19H,(H4,15,16,17,18)
InChIKeyYCZJEWJCOIMFQK-UHFFFAOYSA-N
XLogP1.16
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(6-chloro-2,3-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396291
2,4-diamino-6-(2,3,4-trihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396057
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2,4-diamino-6-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)pyrimidine-5-carbonitrile
CID 169398394
2,4-diamino-6-(2-ethynyl-6-fluorophenyl)pyrimidine-5-carbonitrile
CID 169398430
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-(6-chloro-2,4-difluoro-3-methylphenyl)pyrimidine-5-carbonitrile
CID 169398820
2,4-diamino-6-(6-bromo-3-chloro-2-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169398896
[3-(2,6-diamino-5-cyanopyrimidin-4-yl)-4-hydroxyphenyl]boronic acid
CID 169398910
2,4-diamino-6-(3-bromo-4-fluoro-2,6-dimethylphenyl)pyrimidine-5-carbonitrile
CID 169398682
2,4-diamino-6-(2-chloro-4-hydroxy-3-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398514

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile (CID 169398963) is 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1c(O)ccc(F)c1F.
What is the InChIKey of 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is YCZJEWJCOIMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-5-1-2-6(19)7(8(5)13)9-4(3-14)10(15)18-11(16)17-9/h1-2,19H,(H4,15,16,17,18).
What are the key properties of 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 263.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169398963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).