N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine

C15H13ClN4O — CID 90785976

IUPACN-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCON(c1ccc(Cl)cc1)c1ncc2ncccc2n1
InChIInChI=1S/C15H13ClN4O/c1-2-21-20(12-7-5-11(16)6-8-12)15-18-10-14-13(19-15)4-3-9-17-14/h3-10H,2H2,1H3
InChIKeyLOEYUBAYOQCAPL-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine

N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine (PubChem CID 90785976) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine
PubChem CID90785976
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCCON(c1ccc(Cl)cc1)c1ncc2ncccc2n1
InChIInChI=1S/C15H13ClN4O/c1-2-21-20(12-7-5-11(16)6-8-12)15-18-10-14-13(19-15)4-3-9-17-14/h3-10H,2H2,1H3
InChIKeyLOEYUBAYOQCAPL-UHFFFAOYSA-N
XLogP3.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine (CID 90785976) is N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine is CCON(c1ccc(Cl)cc1)c1ncc2ncccc2n1.
What is the InChIKey of N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LOEYUBAYOQCAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-21-20(12-7-5-11(16)6-8-12)15-18-10-14-13(19-15)4-3-9-17-14/h3-10H,2H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine?
N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 90785976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).