2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C13H10ClFN4O2 — CID 135413797

IUPAC2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C13H10ClFN4O2/c14-6-2-1-3-7(15)9(6)5-4-8(20)17-11-10(5)12(21)19-13(16)18-11/h1-3,5H,4H2,(H4,16,17,18,19,20,21)
InChIKeyWRBTZIUSMJYBTA-UHFFFAOYSA-N
MW308.70 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135413797) has the molecular formula C13H10ClFN4O2 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135413797
Molecular FormulaC13H10ClFN4O2
Molecular Weight308.70 g/mol
Exact Mass308.05
IUPAC Name2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C13H10ClFN4O2/c14-6-2-1-3-7(15)9(6)5-4-8(20)17-11-10(5)12(21)19-13(16)18-11/h1-3,5H,4H2,(H4,16,17,18,19,20,21)
InChIKeyWRBTZIUSMJYBTA-UHFFFAOYSA-N
XLogP1.62
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135413797) is 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)CC(=O)N2.
What is the InChIKey of 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is WRBTZIUSMJYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O2/c14-6-2-1-3-7(15)9(6)5-4-8(20)17-11-10(5)12(21)19-13(16)18-11/h1-3,5H,4H2,(H4,16,17,18,19,20,21).
What are the key properties of 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 308.70 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-6-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135413797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).