1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol

C9H13N3O — CID 115774912

IUPAC1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccncn2)CCC1
InChIInChI=1S/C9H13N3O/c13-9(3-1-4-9)6-11-8-2-5-10-7-12-8/h2,5,7,13H,1,3-4,6H2,(H,10,11,12)
InChIKeyJGBMEKMOQXUEQK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.80
Rot. Bonds3

About 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol

1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol (PubChem CID 115774912) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
PubChem CID115774912
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccncn2)CCC1
InChIInChI=1S/C9H13N3O/c13-9(3-1-4-9)6-11-8-2-5-10-7-12-8/h2,5,7,13H,1,3-4,6H2,(H,10,11,12)
InChIKeyJGBMEKMOQXUEQK-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115695376
N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 130542673
1-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65111028
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 115669125
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
[1-(pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62519036
1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol
CID 78955223
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
CID 65122274
1-[[(6-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65108918
ethane;N-ethylpyrimidin-4-amine
CID 167491074
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056

Frequently Asked Questions

What is the IUPAC name of 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol (CID 115774912) is 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol is OC1(CNc2ccncn2)CCC1.
What is the InChIKey of 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is JGBMEKMOQXUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(3-1-4-9)6-11-8-2-5-10-7-12-8/h2,5,7,13H,1,3-4,6H2,(H,10,11,12).
What are the key properties of 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 179.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).