6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C10H10ClN3O2 — CID 154686920

IUPAC6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc(Cl)nc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C10H10ClN3O2/c1-4(2)5-3-6(11)12-8-7(5)13-10(16)14-9(8)15/h3-4H,1-2H3,(H2,13,14,15,16)
InChIKeyPLLAGUULVFXCPO-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.39
Rot. Bonds1

About 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 154686920) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID154686920
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc(Cl)nc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C10H10ClN3O2/c1-4(2)5-3-6(11)12-8-7(5)13-10(16)14-9(8)15/h3-4H,1-2H3,(H2,13,14,15,16)
InChIKeyPLLAGUULVFXCPO-UHFFFAOYSA-N
XLogP1.39
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 154686920) is 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is CC(C)c1cc(Cl)nc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is PLLAGUULVFXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-4(2)5-3-6(11)12-8-7(5)13-10(16)14-9(8)15/h3-4H,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 239.66 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-propan-2-yl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154686920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).