2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine

C15H15N5 — CID 81424090

IUPAC2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2cccc3cccnc23)n1
InChIInChI=1S/C15H15N5/c1-16-15-18-9-7-13(20-15)19-10-12-5-2-4-11-6-3-8-17-14(11)12/h2-9H,10H2,1H3,(H2,16,18,19,20)
InChIKeyMCPLQLNRUPAJFI-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.68
Rot. Bonds4

About 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81424090) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81424090
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2cccc3cccnc23)n1
InChIInChI=1S/C15H15N5/c1-16-15-18-9-7-13(20-15)19-10-12-5-2-4-11-6-3-8-17-14(11)12/h2-9H,10H2,1H3,(H2,16,18,19,20)
InChIKeyMCPLQLNRUPAJFI-UHFFFAOYSA-N
XLogP2.68
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 81423611
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81435682
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(quinolin-8-ylmethyl)aniline
CID 28610045
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
CID 81435677
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
N-(quinolin-8-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372657
6-ethyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 78958804
1-propyl-N-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577425
4-methyl-2-N-(quinolin-8-ylmethyl)pyridine-2,5-diamine
CID 81426632

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine (CID 81424090) is 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine is CNc1nccc(NCc2cccc3cccnc23)n1.
What is the InChIKey of 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MCPLQLNRUPAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-16-15-18-9-7-13(20-15)19-10-12-5-2-4-11-6-3-8-17-14(11)12/h2-9H,10H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).