[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol

C16H26N4O — CID 138988774

IUPAC[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(N3CCCC3CO)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-12-10-16(18-13(2)17-12)19-8-5-14(6-9-19)20-7-3-4-15(20)11-21/h10,14-15,21H,3-9,11H2,1-2H3
InChIKeyONEPKERZYJNDSK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds3

About [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol

[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 138988774) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID138988774
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(N3CCCC3CO)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-12-10-16(18-13(2)17-12)19-8-5-14(6-9-19)20-7-3-4-15(20)11-21/h10,14-15,21H,3-9,11H2,1-2H3
InChIKeyONEPKERZYJNDSK-UHFFFAOYSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
CID 107110293
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol (CID 138988774) is [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol is Cc1cc(N2CCC(N3CCCC3CO)CC2)nc(C)n1.
What is the InChIKey of [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ONEPKERZYJNDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-10-16(18-13(2)17-12)19-8-5-14(6-9-19)20-7-3-4-15(20)11-21/h10,14-15,21H,3-9,11H2,1-2H3.
What are the key properties of [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 138988774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).