6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

C18H15N7 — CID 19145481

IUPAC6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C18H15N7/c19-16-17(24-12-4-2-8-20-10-12)22-11-23-18(16)25-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,19H2,(H2,22,23,24,25)
InChIKeyYIDAMLKITQLCEM-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.49
Rot. Bonds4

About 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 19145481) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID19145481
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C18H15N7/c19-16-17(24-12-4-2-8-20-10-12)22-11-23-18(16)25-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,19H2,(H2,22,23,24,25)
InChIKeyYIDAMLKITQLCEM-UHFFFAOYSA-N
XLogP3.49
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
N-pyridin-3-ylquinazolin-4-amine
CID 5328017
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
dimethyl 5-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547710
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503

Frequently Asked Questions

What is the IUPAC name of 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 19145481) is 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccnc2)ncnc1Nc1cccc2ncccc12.
What is the InChIKey of 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is YIDAMLKITQLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c19-16-17(24-12-4-2-8-20-10-12)22-11-23-18(16)25-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,19H2,(H2,22,23,24,25).
What are the key properties of 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine has a molecular weight of 329.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).