1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol

C19H26N4O — CID 136569037

IUPAC1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(c3cc(N(C)C)ncn3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-14-6-5-7-16(15(14)2)19(24)8-10-23(11-9-19)18-12-17(22(3)4)20-13-21-18/h5-7,12-13,24H,8-11H2,1-4H3
InChIKeyDSJLPWCSIAEQFK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.65
Rot. Bonds3

About 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol

1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol (PubChem CID 136569037) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol
PubChem CID136569037
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(c3cc(N(C)C)ncn3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-14-6-5-7-16(15(14)2)19(24)8-10-23(11-9-19)18-12-17(22(3)4)20-13-21-18/h5-7,12-13,24H,8-11H2,1-4H3
InChIKeyDSJLPWCSIAEQFK-UHFFFAOYSA-N
XLogP2.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol?
The IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol (CID 136569037) is 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol is Cc1cccc(C2(O)CCN(c3cc(N(C)C)ncn3)CC2)c1C.
What is the InChIKey of 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol?
The InChIKey is DSJLPWCSIAEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-6-5-7-16(15(14)2)19(24)8-10-23(11-9-19)18-12-17(22(3)4)20-13-21-18/h5-7,12-13,24H,8-11H2,1-4H3.
What are the key properties of 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol?
1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol has a molecular weight of 326.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyrimidin-4-yl]-4-(2,3-dimethylphenyl)piperidin-4-ol is sourced from PubChem (CID 136569037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).