4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile

C14H16N8 — CID 10063148

IUPAC4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1N
InChIInChI=1S/C14H16N8/c15-7-10-8-19-14(21-13(10)16)20-12-2-1-11(9-18-12)22-5-3-17-4-6-22/h1-2,8-9,17H,3-6H2,(H3,16,18,19,20,21)
InChIKeyILYGHVWXOCXERZ-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile

4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile (PubChem CID 10063148) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
PubChem CID10063148
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1N
InChIInChI=1S/C14H16N8/c15-7-10-8-19-14(21-13(10)16)20-12-2-1-11(9-18-12)22-5-3-17-4-6-22/h1-2,8-9,17H,3-6H2,(H3,16,18,19,20,21)
InChIKeyILYGHVWXOCXERZ-UHFFFAOYSA-N
XLogP0.48
TPSA115.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-4-aminopyrimidine-5-carbonitrile
CID 167855839
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one
CID 158904746
7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58016035
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile (CID 10063148) is 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1N.
What is the InChIKey of 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is ILYGHVWXOCXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c15-7-10-8-19-14(21-13(10)16)20-12-2-1-11(9-18-12)22-5-3-17-4-6-22/h1-2,8-9,17H,3-6H2,(H3,16,18,19,20,21).
What are the key properties of 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 296.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10063148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).