1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol

C10H17N3O — CID 82400121

IUPAC1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
SMILESCCC(C)(O)C(N)c1ccnc(C)n1
InChIInChI=1S/C10H17N3O/c1-4-10(3,14)9(11)8-5-6-12-7(2)13-8/h5-6,9,14H,4,11H2,1-3H3
InChIKeyYELAVBBYDCSBFA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.95
Rot. Bonds3

About 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol

1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol (PubChem CID 82400121) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
PubChem CID82400121
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
SMILESCCC(C)(O)C(N)c1ccnc(C)n1
InChIInChI=1S/C10H17N3O/c1-4-10(3,14)9(11)8-5-6-12-7(2)13-8/h5-6,9,14H,4,11H2,1-3H3
InChIKeyYELAVBBYDCSBFA-UHFFFAOYSA-N
XLogP0.95
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530047
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
CID 115530358
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol (CID 82400121) is 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol is CCC(C)(O)C(N)c1ccnc(C)n1.
What is the InChIKey of 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol?
The InChIKey is YELAVBBYDCSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(3,14)9(11)8-5-6-12-7(2)13-8/h5-6,9,14H,4,11H2,1-3H3.
What are the key properties of 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol?
1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol has a molecular weight of 195.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 82400121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).