[2-(butan-2-ylamino)pyrimidin-4-yl]methanol

C9H15N3O — CID 131110301

IUPAC[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
SMILESCCC(C)Nc1nccc(CO)n1
InChIInChI=1S/C9H15N3O/c1-3-7(2)11-9-10-5-4-8(6-13)12-9/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyIFGDAVSQWNRYLX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.18
Rot. Bonds4

About [2-(butan-2-ylamino)pyrimidin-4-yl]methanol

[2-(butan-2-ylamino)pyrimidin-4-yl]methanol (PubChem CID 131110301) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(butan-2-ylamino)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
PubChem CID131110301
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
SMILESCCC(C)Nc1nccc(CO)n1
InChIInChI=1S/C9H15N3O/c1-3-7(2)11-9-10-5-4-8(6-13)12-9/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyIFGDAVSQWNRYLX-UHFFFAOYSA-N
XLogP1.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
CID 138050417
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088111
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(butan-2-ylamino)pyrimidin-4-yl]methanol (CID 131110301) is [2-(butan-2-ylamino)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(butan-2-ylamino)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(butan-2-ylamino)pyrimidin-4-yl]methanol is CCC(C)Nc1nccc(CO)n1.
What is the InChIKey of [2-(butan-2-ylamino)pyrimidin-4-yl]methanol?
The InChIKey is IFGDAVSQWNRYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(2)11-9-10-5-4-8(6-13)12-9/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12).
What are the key properties of [2-(butan-2-ylamino)pyrimidin-4-yl]methanol?
[2-(butan-2-ylamino)pyrimidin-4-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)pyrimidin-4-yl]methanol is sourced from PubChem (CID 131110301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).