2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile

C11H8ClN5 — CID 169398559

IUPAC2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN5/c12-8-4-2-1-3-6(8)9-7(5-13)10(14)17-11(15)16-9/h1-4H,(H4,14,15,16,17)
InChIKeyNPCAUVQRDVJQJO-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.83
Rot. Bonds1

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

2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile (PubChem CID 169398559) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
PubChem CID169398559
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN5/c12-8-4-2-1-3-6(8)9-7(5-13)10(14)17-11(15)16-9/h1-4H,(H4,14,15,16,17)
InChIKeyNPCAUVQRDVJQJO-UHFFFAOYSA-N
XLogP1.83
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
2-(2,6-diamino-5-cyanopyrimidin-4-yl)benzenesulfonic acid
CID 169396019
2,4-diamino-6-[2-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
CID 169397583
2,4-diamino-6-(6-chloro-2,3-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396291
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
CID 15528298
2,4-diamino-6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398772
2,4-diamino-6-[2-(cyclopropylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396461
2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396692
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2,4-diamino-6-(2-butylsulfanylphenyl)pyrimidine-5-carbonitrile
CID 169396552
2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
CID 169397318

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile (CID 169398559) is 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccccc1Cl.
What is the InChIKey of 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile?
The InChIKey is NPCAUVQRDVJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-8-4-2-1-3-6(8)9-7(5-13)10(14)17-11(15)16-9/h1-4H,(H4,14,15,16,17).
What are the key properties of 2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile has a molecular weight of 245.67 g/mol, XLogP of 1.83, 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-chlorophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169398559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).