1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol

C10H17N3O2 — CID 115702045

IUPAC1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nccc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-3-8(14)4-6-11-10-12-7-5-9(13-10)15-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDTECLJHXJYOUEI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.06
Rot. Bonds6

About 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol

1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol (PubChem CID 115702045) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
PubChem CID115702045
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nccc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-3-8(14)4-6-11-10-12-7-5-9(13-10)15-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDTECLJHXJYOUEI-UHFFFAOYSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol (CID 115702045) is 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol is CCC(O)CCNc1nccc(OC)n1.
What is the InChIKey of 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol?
The InChIKey is DTECLJHXJYOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8(14)4-6-11-10-12-7-5-9(13-10)15-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol?
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol has a molecular weight of 211.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol is sourced from PubChem (CID 115702045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).