6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C18H21N3O3 — CID 24682362

IUPAC6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CC=C(c3ccc(O)cc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H21N3O3/c1-19-15(11-17(23)20(2)18(19)24)12-21-9-7-14(8-10-21)13-3-5-16(22)6-4-13/h3-7,11,22H,8-10,12H2,1-2H3
InChIKeyPCXBPTBFCKODBZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.08
Rot. Bonds3

About 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 24682362) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID24682362
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CC=C(c3ccc(O)cc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H21N3O3/c1-19-15(11-17(23)20(2)18(19)24)12-21-9-7-14(8-10-21)13-3-5-16(22)6-4-13/h3-7,11,22H,8-10,12H2,1-2H3
InChIKeyPCXBPTBFCKODBZ-UHFFFAOYSA-N
XLogP1.08
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione 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 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 24682362) is 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CC=C(c3ccc(O)cc3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PCXBPTBFCKODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-19-15(11-17(23)20(2)18(19)24)12-21-9-7-14(8-10-21)13-3-5-16(22)6-4-13/h3-7,11,22H,8-10,12H2,1-2H3.
What are the key properties of 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 24682362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).