2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide

C15H13N5O — CID 122214609

IUPAC2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H13N5O/c16-13-11(8-18-15(17)20-13)14(21)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H,19,21)(H4,16,17,18,20)
InChIKeyPMSQFWQYHKRSOB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.05
Rot. Bonds2

About 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide

2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide (PubChem CID 122214609) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
PubChem CID122214609
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H13N5O/c16-13-11(8-18-15(17)20-13)14(21)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H,19,21)(H4,16,17,18,20)
InChIKeyPMSQFWQYHKRSOB-UHFFFAOYSA-N
XLogP2.05
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-naphthalen-1-ylpyridine-4-carboxamide
CID 114921449
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-amino-3-fluoro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 105385052
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide (CID 122214609) is 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide is Nc1ncc(C(=O)Nc2cccc3ccccc23)c(N)n1.
What is the InChIKey of 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The InChIKey is PMSQFWQYHKRSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-13-11(8-18-15(17)20-13)14(21)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H,19,21)(H4,16,17,18,20).
What are the key properties of 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide?
2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 122214609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).