2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile

C11H7ClFN5 — CID 169396041

IUPAC2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18)
InChIKeyIDIMORRGCJDOFW-UHFFFAOYSA-N
MW263.66 g/mol
LogP1.97
Rot. Bonds1

About 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile (PubChem CID 169396041) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
PubChem CID169396041
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18)
InChIKeyIDIMORRGCJDOFW-UHFFFAOYSA-N
XLogP1.97
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
CID 169397259
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
2,4-diamino-6-(6-chloro-2,3-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396291
2,4-diamino-6-(2-bromo-3,5-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396365
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2,4-diamino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396194
2,4-diamino-6-[2-(butan-2-yloxymethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169396782
2,4-diamino-6-[4-chloro-2-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396382
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396759

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile (CID 169396041) is 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(F)cc1Cl.
What is the InChIKey of 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile?
The InChIKey is IDIMORRGCJDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-8-3-5(13)1-2-6(8)9-7(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18).
What are the key properties of 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile has a molecular weight of 263.66 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).