[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

C15H24N4O — CID 133439246

IUPAC[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESC=C(C)CN(C)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C15H24N4O/c1-12(2)8-18(3)14-7-15(17-11-16-14)19-6-4-5-13(9-19)10-20/h7,11,13,20H,1,4-6,8-10H2,2-3H3
InChIKeyOOFZURQZADMQGG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds5

About [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133439246) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133439246
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESC=C(C)CN(C)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C15H24N4O/c1-12(2)8-18(3)14-7-15(17-11-16-14)19-6-4-5-13(9-19)10-20/h7,11,13,20H,1,4-6,8-10H2,2-3H3
InChIKeyOOFZURQZADMQGG-UHFFFAOYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 138996094
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431923
[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133463281
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
[1-[6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431078
[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 167944213
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813

Frequently Asked Questions

What is the IUPAC name of [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133439246) is [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol is C=C(C)CN(C)c1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is OOFZURQZADMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)8-18(3)14-7-15(17-11-16-14)19-6-4-5-13(9-19)10-20/h7,11,13,20H,1,4-6,8-10H2,2-3H3.
What are the key properties of [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133439246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).