1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine

C17H18N4 — CID 114755499

IUPAC1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(-c2nccc(CC(C)N)n2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-11-9-16(21-15-6-4-3-5-14(11)15)17-19-8-7-13(20-17)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyYCWYYOOAQFBBQO-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine

1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine (PubChem CID 114755499) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
PubChem CID114755499
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(-c2nccc(CC(C)N)n2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-11-9-16(21-15-6-4-3-5-14(11)15)17-19-8-7-13(20-17)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyYCWYYOOAQFBBQO-UHFFFAOYSA-N
XLogP2.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
2-(4-methylquinolin-2-yl)-6-propylpyrimidin-4-amine
CID 114755413
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 114754512
1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 114755378
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 62744340
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine (CID 114755499) is 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine is Cc1cc(-c2nccc(CC(C)N)n2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is YCWYYOOAQFBBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-9-16(21-15-6-4-3-5-14(11)15)17-19-8-7-13(20-17)10-12(2)18/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine?
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 114755499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).