6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

C23H18N6 — CID 19145076

IUPAC6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C23H18N6/c24-21-22(28-19-11-3-7-15-6-1-2-8-16(15)19)26-14-27-23(21)29-20-12-4-10-18-17(20)9-5-13-25-18/h1-14H,24H2,(H2,26,27,28,29)
InChIKeySEMXBPKKBDZZKV-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.25
Rot. Bonds4

About 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 19145076) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID19145076
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C23H18N6/c24-21-22(28-19-11-3-7-15-6-1-2-8-16(15)19)26-14-27-23(21)29-20-12-4-10-18-17(20)9-5-13-25-18/h1-14H,24H2,(H2,26,27,28,29)
InChIKeySEMXBPKKBDZZKV-UHFFFAOYSA-N
XLogP5.25
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164

Frequently Asked Questions

What is the IUPAC name of 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 19145076) is 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2ncccc12.
What is the InChIKey of 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is SEMXBPKKBDZZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c24-21-22(28-19-11-3-7-15-6-1-2-8-16(15)19)26-14-27-23(21)29-20-12-4-10-18-17(20)9-5-13-25-18/h1-14H,24H2,(H2,26,27,28,29).
What are the key properties of 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine has a molecular weight of 378.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).