(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine

C17H18N4 — CID 103432065

IUPAC(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@H](C)N
InChIInChI=1S/C17H18N4/c1-10-8-16(21-15-7-5-4-6-13(10)15)17-19-9-14(11(2)18)12(3)20-17/h4-9,11H,18H2,1-3H3/t11-/m0/s1
InChIKeySIZUZMKNBKSSQB-NSHDSACASA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds2

About (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine

(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine (PubChem CID 103432065) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
PubChem CID103432065
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@H](C)N
InChIInChI=1S/C17H18N4/c1-10-8-16(21-15-7-5-4-6-13(10)15)17-19-9-14(11(2)18)12(3)20-17/h4-9,11H,18H2,1-3H3/t11-/m0/s1
InChIKeySIZUZMKNBKSSQB-NSHDSACASA-N
XLogP3.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 114755378
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
CID 114755552
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549
(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431993
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine (CID 103432065) is (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine is Cc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is SIZUZMKNBKSSQB-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4/c1-10-8-16(21-15-7-5-4-6-13(10)15)17-19-9-14(11(2)18)12(3)20-17/h4-9,11H,18H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine?
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).