4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine

C15H15N5 — CID 80789513

IUPAC4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc3cnccc23)n1
InChIInChI=1S/C15H15N5/c1-10-8-18-15(16-2)20-14(10)19-13-5-3-4-11-9-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyOFAOXZPWPFBIEQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80789513) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80789513
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc3cnccc23)n1
InChIInChI=1S/C15H15N5/c1-10-8-18-15(16-2)20-14(10)19-13-5-3-4-11-9-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyOFAOXZPWPFBIEQ-UHFFFAOYSA-N
XLogP3.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine 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

4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80759868
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951
4-N-[2-(difluoromethoxy)phenyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80754579
N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
CID 156839455
4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80763275
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400

Frequently Asked Questions

What is the IUPAC name of 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80789513) is 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2cccc3cnccc23)n1.
What is the InChIKey of 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is OFAOXZPWPFBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-8-18-15(16-2)20-14(10)19-13-5-3-4-11-9-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20).
What are the key properties of 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).