2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine

C15H15N5 — CID 80759868

IUPAC2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C15H15N5/c1-10-9-18-15(16-2)20-14(10)19-13-7-3-6-12-11(13)5-4-8-17-12/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyFSPKJQLAQCMRFY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine (PubChem CID 80759868) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
PubChem CID80759868
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C15H15N5/c1-10-9-18-15(16-2)20-14(10)19-13-7-3-6-12-11(13)5-4-8-17-12/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyFSPKJQLAQCMRFY-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

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Related Compounds

4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-(2-hydrazinyl-5-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926155
4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80763275
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
4-N-[2-(difluoromethoxy)phenyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80754579
ethyl 2-methyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 90923584
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine (CID 80759868) is 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2cccc3ncccc23)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The InChIKey is FSPKJQLAQCMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-9-18-15(16-2)20-14(10)19-13-7-3-6-12-11(13)5-4-8-17-12/h3-9H,1-2H3,(H2,16,18,19,20).
What are the key properties of 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-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 2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80759868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).