6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C21H26ClN3O3 — CID 135268685

IUPAC6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCC1=Nc2c(c(=O)n(CCCO)c(=O)n2C)CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c1-3-5-18-15(12-14-6-8-16(22)9-7-14)13-17-19(23-18)24(2)21(28)25(20(17)27)10-4-11-26/h6-9,15,26H,3-5,10-13H2,1-2H3
InChIKeyWETVELPGOHAQKG-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.87
Rot. Bonds7

About 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 135268685) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID135268685
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCC1=Nc2c(c(=O)n(CCCO)c(=O)n2C)CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c1-3-5-18-15(12-14-6-8-16(22)9-7-14)13-17-19(23-18)24(2)21(28)25(20(17)27)10-4-11-26/h6-9,15,26H,3-5,10-13H2,1-2H3
InChIKeyWETVELPGOHAQKG-UHFFFAOYSA-N
XLogP2.87
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
CID 135268669
8-(3-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6,7-dihydro-5H-pyrimido[4,5-b]azepine-2,4-dione
CID 130445713
6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
CID 129113175
7-[(4-chlorophenyl)methyl]-8-(3-ethylphenoxy)-3-[2-(2-hydroxyethoxy)ethyl]-1-methyl-6,7-dihydro-5H-pyrimido[4,5-b]azepine-2,4-dione
CID 144707524
8-[(R)-butylsulfinyl]-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
CID 129112871
6-butoxy-5-[(5-chloro-2-pyridinyl)methyl]-3-(3-hydroxypropyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 129113519
7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-pentoxypurine-2,6-dione
CID 90403103
7-[(4-chlorophenyl)methyl]-8-[(E)-2-cyclopropylethenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
CID 167433679
7-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-pentylpurine-2,6-dione
CID 123505460
3-[(5S)-5-(dimethylamino)hexyl]-1-methyl-6-propyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 58164552
7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-propan-2-yloxypurine-2,6-dione
CID 90402460
7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[2-(propan-2-ylamino)ethyl]purine-2,6-dione
CID 129112432

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 135268685) is 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is CCCC1=Nc2c(c(=O)n(CCCO)c(=O)n2C)CC1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WETVELPGOHAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-3-5-18-15(12-14-6-8-16(22)9-7-14)13-17-19(23-18)24(2)21(28)25(20(17)27)10-4-11-26/h6-9,15,26H,3-5,10-13H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 403.91 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 135268685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).