4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C20H16N6 — CID 172645776

IUPAC4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc2c(c1-c1ccccc1)C(N)N=CN2
InChIInChI=1S/C20H16N6/c21-11-15-16(13-7-3-1-4-8-13)17-18(22)23-12-24-20(17)26-19(15)25-14-9-5-2-6-10-14/h1-10,12,18H,22H2,(H2,23,24,25,26)
InChIKeyLLABDTPDJTYMPG-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.77
Rot. Bonds3

About 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 172645776) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID172645776
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc2c(c1-c1ccccc1)C(N)N=CN2
InChIInChI=1S/C20H16N6/c21-11-15-16(13-7-3-1-4-8-13)17-18(22)23-12-24-20(17)26-19(15)25-14-9-5-2-6-10-14/h1-10,12,18H,22H2,(H2,23,24,25,26)
InChIKeyLLABDTPDJTYMPG-UHFFFAOYSA-N
XLogP3.77
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
Bisanilinopyrimidine, 6g
CID 70702138
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250394
4-(2-{[(2-Amino-4-Methylquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250401
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 172645776) is 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(Nc2ccccc2)nc2c(c1-c1ccccc1)C(N)N=CN2.
What is the InChIKey of 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is LLABDTPDJTYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-11-15-16(13-7-3-1-4-8-13)17-18(22)23-12-24-20(17)26-19(15)25-14-9-5-2-6-10-14/h1-10,12,18H,22H2,(H2,23,24,25,26).
What are the key properties of 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 340.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-anilino-5-phenyl-1,4-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 172645776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).