1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H20ClN3O2 — CID 20879902

IUPAC1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCn1c(=O)c2cccnc2n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C19H20ClN3O2/c1-13(2)9-11-22-18(24)15-7-5-10-21-17(15)23(19(22)25)12-14-6-3-4-8-16(14)20/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyKGQZREXJQHJOKQ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.31
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879902) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879902
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCn1c(=O)c2cccnc2n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C19H20ClN3O2/c1-13(2)9-11-22-18(24)15-7-5-10-21-17(15)23(19(22)25)12-14-6-3-4-8-16(14)20/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyKGQZREXJQHJOKQ-UHFFFAOYSA-N
XLogP3.31
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879902) is 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCn1c(=O)c2cccnc2n(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KGQZREXJQHJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(2)9-11-22-18(24)15-7-5-10-21-17(15)23(19(22)25)12-14-6-3-4-8-16(14)20/h3-8,10,13H,9,11-12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 357.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).