(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine

C11H19N3O — CID 103432077

IUPAC(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOC(C)Cc1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C11H19N3O/c1-7(15-4)5-11-13-6-10(8(2)12)9(3)14-11/h6-8H,5,12H2,1-4H3/t7?,8-/m0/s1
InChIKeyXOBXMBKVSUUZKF-MQWKRIRWSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds4

About (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103432077) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103432077
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOC(C)Cc1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C11H19N3O/c1-7(15-4)5-11-13-6-10(8(2)12)9(3)14-11/h6-8H,5,12H2,1-4H3/t7?,8-/m0/s1
InChIKeyXOBXMBKVSUUZKF-MQWKRIRWSA-N
XLogP1.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 94587549
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 102929088
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
CID 94587533
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
(1S)-1-[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431963
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine (CID 103432077) is (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine is COC(C)Cc1ncc([C@H](C)N)c(C)n1.
What is the InChIKey of (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is XOBXMBKVSUUZKF-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(15-4)5-11-13-6-10(8(2)12)9(3)14-11/h6-8H,5,12H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).