1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C20H15FN4O2 — CID 16951818

IUPAC1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccn1
InChIInChI=1S/C20H15FN4O2/c21-15-6-3-5-14(11-15)12-24-17-8-4-10-23-18(17)19(26)25(20(24)27)13-16-7-1-2-9-22-16/h1-11H,12-13H2
InChIKeyJIDIFBUPUJBJHQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.19
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 16951818) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID16951818
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccn1
InChIInChI=1S/C20H15FN4O2/c21-15-6-3-5-14(11-15)12-24-17-8-4-10-23-18(17)19(26)25(20(24)27)13-16-7-1-2-9-22-16/h1-11H,12-13H2
InChIKeyJIDIFBUPUJBJHQ-UHFFFAOYSA-N
XLogP2.19
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 16951818) is 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccn1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JIDIFBUPUJBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-15-6-3-5-14(11-15)12-24-17-8-4-10-23-18(17)19(26)25(20(24)27)13-16-7-1-2-9-22-16/h1-11H,12-13H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 362.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16951818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).