(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone

C14H13ClN4O — CID 69269263

IUPAC(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
SMILESNc1ncnc2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C14H13ClN4O/c15-11-4-2-1-3-9(11)14(20)19-6-5-10-12(7-19)17-8-18-13(10)16/h1-4,8H,5-7H2,(H2,16,17,18)
InChIKeyVTDUJYGAMWVOIH-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.91
Rot. Bonds1

About (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone (PubChem CID 69269263) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
PubChem CID69269263
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
SMILESNc1ncnc2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C14H13ClN4O/c15-11-4-2-1-3-9(11)14(20)19-6-5-10-12(7-19)17-8-18-13(10)16/h1-4,8H,5-7H2,(H2,16,17,18)
InChIKeyVTDUJYGAMWVOIH-UHFFFAOYSA-N
XLogP1.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone (CID 69269263) is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone is Nc1ncnc2c1CCN(C(=O)c1ccccc1Cl)C2.
What is the InChIKey of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone?
The InChIKey is VTDUJYGAMWVOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-4-2-1-3-9(11)14(20)19-6-5-10-12(7-19)17-8-18-13(10)16/h1-4,8H,5-7H2,(H2,16,17,18).
What are the key properties of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone?
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone has a molecular weight of 288.74 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 69269263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).