1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol

C13H20N4O — CID 115265259

IUPAC1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(NC3CCC3)ncn2)CC1
InChIInChI=1S/C13H20N4O/c18-11-4-6-17(7-5-11)13-8-12(14-9-15-13)16-10-2-1-3-10/h8-11,18H,1-7H2,(H,14,15,16)
InChIKeyWMPPSXRGBCYEHL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds3

About 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol

1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 115265259) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID115265259
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(NC3CCC3)ncn2)CC1
InChIInChI=1S/C13H20N4O/c18-11-4-6-17(7-5-11)13-8-12(14-9-15-13)16-10-2-1-3-10/h8-11,18H,1-7H2,(H,14,15,16)
InChIKeyWMPPSXRGBCYEHL-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134706665
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
CID 115265369
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol (CID 115265259) is 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(NC3CCC3)ncn2)CC1.
What is the InChIKey of 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WMPPSXRGBCYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-11-4-6-17(7-5-11)13-8-12(14-9-15-13)16-10-2-1-3-10/h8-11,18H,1-7H2,(H,14,15,16).
What are the key properties of 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol?
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 248.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 115265259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).