1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol

C13H22N4O — CID 136522548

IUPAC1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
SMILESCN(C)c1nccc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-13(18)5-8-17(9-6-13)10-11-4-7-14-12(15-11)16(2)3/h4,7,18H,5-6,8-10H2,1-3H3
InChIKeyYJGZCZQZFGXSAG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds3

About 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol

1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 136522548) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID136522548
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
SMILESCN(C)c1nccc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-13(18)5-8-17(9-6-13)10-11-4-7-14-12(15-11)16(2)3/h4,7,18H,5-6,8-10H2,1-3H3
InChIKeyYJGZCZQZFGXSAG-UHFFFAOYSA-N
XLogP0.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol (CID 136522548) is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol is CN(C)c1nccc(CN2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is YJGZCZQZFGXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(18)5-8-17(9-6-13)10-11-4-7-14-12(15-11)16(2)3/h4,7,18H,5-6,8-10H2,1-3H3.
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol?
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 136522548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).