1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol

C12H18N4O — CID 66569760

IUPAC1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C12H18N4O/c17-10-2-1-5-16(7-10)12-6-11(13-8-14-12)15-9-3-4-9/h6,8-10,17H,1-5,7H2,(H,13,14,15)
InChIKeyOWSZZEGXCVQSJM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds3

About 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol

1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 66569760) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID66569760
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C12H18N4O/c17-10-2-1-5-16(7-10)12-6-11(13-8-14-12)15-9-3-4-9/h6,8-10,17H,1-5,7H2,(H,13,14,15)
InChIKeyOWSZZEGXCVQSJM-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
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-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 115265268
tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 86331531
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 95103142
tert-butyl N-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86331482
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
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-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol (CID 66569760) is 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol is OC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is OWSZZEGXCVQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-10-2-1-5-16(7-10)12-6-11(13-8-14-12)15-9-3-4-9/h6,8-10,17H,1-5,7H2,(H,13,14,15).
What are the key properties of 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 234.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 66569760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).