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

C14H22N4O — CID 115265154

IUPAC[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(NC3CCC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c19-9-11-4-6-18(7-5-11)14-8-13(15-10-16-14)17-12-2-1-3-12/h8,10-12,19H,1-7,9H2,(H,15,16,17)
InChIKeyQRUWTWGHEKNFJX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.65
Rot. Bonds4

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

[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 115265154) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID115265154
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(NC3CCC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c19-9-11-4-6-18(7-5-11)14-8-13(15-10-16-14)17-12-2-1-3-12/h8,10-12,19H,1-7,9H2,(H,15,16,17)
InChIKeyQRUWTWGHEKNFJX-UHFFFAOYSA-N
XLogP1.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
CID 115265369
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188633
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
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
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724

Frequently Asked Questions

What is the IUPAC name of [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 115265154) is [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2cc(NC3CCC3)ncn2)CC1.
What is the InChIKey of [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is QRUWTWGHEKNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-9-11-4-6-18(7-5-11)14-8-13(15-10-16-14)17-12-2-1-3-12/h8,10-12,19H,1-7,9H2,(H,15,16,17).
What are the key properties of [1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 262.36 g/mol, XLogP of 1.65, 4 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-yl]methanol is sourced from PubChem (CID 115265154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).