5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine

C16H17N5 — CID 80802898

IUPAC5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc2ncccc2c1
InChIInChI=1S/C16H17N5/c1-3-13-15(17-2)19-10-20-16(13)21-12-6-7-14-11(9-12)5-4-8-18-14/h4-10H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeySEZZAXIREATTLC-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.37
Rot. Bonds4

About 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine (PubChem CID 80802898) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
PubChem CID80802898
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc2ncccc2c1
InChIInChI=1S/C16H17N5/c1-3-13-15(17-2)19-10-20-16(13)21-12-6-7-14-11(9-12)5-4-8-18-14/h4-10H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeySEZZAXIREATTLC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80832323
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
N-quinolin-6-ylethanesulfonamide
CID 64584546
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
CID 81036767

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine (CID 80802898) is 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc2ncccc2c1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The InChIKey is SEZZAXIREATTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-13-15(17-2)19-10-20-16(13)21-12-6-7-14-11(9-12)5-4-8-18-14/h4-10H,3H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80802898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).