6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine

C16H17N5 — CID 81435677

IUPAC6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccc3cccnc23)c1C
InChIInChI=1S/C16H17N5/c1-11-15(17-2)20-10-21-16(11)19-9-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,10H,9H2,1-2H3,(H2,17,19,20,21)
InChIKeyYPMAEPSBKQVRQG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.99
Rot. Bonds4

About 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 81435677) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
PubChem CID81435677
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccc3cccnc23)c1C
InChIInChI=1S/C16H17N5/c1-11-15(17-2)20-10-21-16(11)19-9-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,10H,9H2,1-2H3,(H2,17,19,20,21)
InChIKeyYPMAEPSBKQVRQG-UHFFFAOYSA-N
XLogP2.99
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81435682
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
N-(quinolin-8-ylmethyl)aniline
CID 28610045
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
6-hydrazinyl-5-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 80902524
6-ethyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 78958804
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine (CID 81435677) is 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine is CNc1ncnc(NCc2cccc3cccnc23)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is YPMAEPSBKQVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-15(17-2)20-10-21-16(11)19-9-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,10H,9H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 81435677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).