2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol

C9H15N3O2 — CID 112683347

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nccc(OC)n1
InChIInChI=1S/C9H15N3O2/c1-3-7(6-13)11-9-10-5-4-8(12-9)14-2/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyUXIACONEXJODFQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.67
Rot. Bonds5

About 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol

2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol (PubChem CID 112683347) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
PubChem CID112683347
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nccc(OC)n1
InChIInChI=1S/C9H15N3O2/c1-3-7(6-13)11-9-10-5-4-8(12-9)14-2/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyUXIACONEXJODFQ-UHFFFAOYSA-N
XLogP0.67
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
CID 115657840
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
2-[(5-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 114600360
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol (CID 112683347) is 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol is CCC(CO)Nc1nccc(OC)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is UXIACONEXJODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7(6-13)11-9-10-5-4-8(12-9)14-2/h4-5,7,13H,3,6H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol?
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 197.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 112683347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).