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

C12H21N3O — CID 116778873

IUPAC1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCC(C)(OC)c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C12H21N3O/c1-6-12(4,16-5)11-14-7-10(8(2)13)9(3)15-11/h7-8H,6,13H2,1-5H3
InChIKeyBONFAGAUFAURBN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.08
Rot. Bonds4

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

1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 116778873) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID116778873
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCC(C)(OC)c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C12H21N3O/c1-6-12(4,16-5)11-14-7-10(8(2)13)9(3)15-11/h7-8H,6,13H2,1-5H3
InChIKeyBONFAGAUFAURBN-UHFFFAOYSA-N
XLogP2.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431973
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
CID 116781889
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307
5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116777031
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (CID 116778873) is 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is CCC(C)(OC)c1ncc(C(C)N)c(C)n1.
What is the InChIKey of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is BONFAGAUFAURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(4,16-5)11-14-7-10(8(2)13)9(3)15-11/h7-8H,6,13H2,1-5H3.
What are the key properties of 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116778873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).