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

C20H16Cl2N4O — CID 86281818

IUPAC(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone
SMILESNc1nc2c(c(-c3ccccc3)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C20H16Cl2N4O/c21-15-8-4-7-14(17(15)22)19(27)26-10-9-13-16(11-26)24-20(23)25-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,23,24,25)
InChIKeyLSDSEBLWTUBBRZ-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.23
Rot. Bonds2

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

(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone (PubChem CID 86281818) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone
PubChem CID86281818
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone
SMILESNc1nc2c(c(-c3ccccc3)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C20H16Cl2N4O/c21-15-8-4-7-14(17(15)22)19(27)26-10-9-13-16(11-26)24-20(23)25-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,23,24,25)
InChIKeyLSDSEBLWTUBBRZ-UHFFFAOYSA-N
XLogP4.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone?
The IUPAC name of (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone (CID 86281818) is (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone?
The canonical SMILES for (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone is Nc1nc2c(c(-c3ccccc3)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2.
What is the InChIKey of (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone?
The InChIKey is LSDSEBLWTUBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-15-8-4-7-14(17(15)22)19(27)26-10-9-13-16(11-26)24-20(23)25-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,23,24,25).
What are the key properties of (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone?
(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone has a molecular weight of 399.28 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 86281818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).