2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol

C9H15N3O — CID 115644022

IUPAC2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
SMILESCC(CO)C(C)Nc1ncccn1
InChIInChI=1S/C9H15N3O/c1-7(6-13)8(2)12-9-10-4-3-5-11-9/h3-5,7-8,13H,6H2,1-2H3,(H,10,11,12)
InChIKeyBKAKOQDNLHGZQT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.91
Rot. Bonds4

About 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol

2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol (PubChem CID 115644022) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
PubChem CID115644022
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
SMILESCC(CO)C(C)Nc1ncccn1
InChIInChI=1S/C9H15N3O/c1-7(6-13)8(2)12-9-10-4-3-5-11-9/h3-5,7-8,13H,6H2,1-2H3,(H,10,11,12)
InChIKeyBKAKOQDNLHGZQT-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine
CID 170580843
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol (CID 115644022) is 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol is CC(CO)C(C)Nc1ncccn1.
What is the InChIKey of 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol?
The InChIKey is BKAKOQDNLHGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(6-13)8(2)12-9-10-4-3-5-11-9/h3-5,7-8,13H,6H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol?
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol is sourced from PubChem (CID 115644022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).