1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone

C19H23ClN4O3 — CID 162673296

IUPAC1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone
SMILESCOc1nc(N)c2c(n1)CCC(CCc1ccccc1OC)N2C(=O)CCl
InChIInChI=1S/C19H23ClN4O3/c1-26-15-6-4-3-5-12(15)7-8-13-9-10-14-17(24(13)16(25)11-20)18(21)23-19(22-14)27-2/h3-6,13H,7-11H2,1-2H3,(H2,21,22,23)
InChIKeyNCGUHOOWEKSYIJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.60
Rot. Bonds6

About 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone

1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone (PubChem CID 162673296) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone.

Molecular Properties

Compound Name1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone
PubChem CID162673296
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone
SMILESCOc1nc(N)c2c(n1)CCC(CCc1ccccc1OC)N2C(=O)CCl
InChIInChI=1S/C19H23ClN4O3/c1-26-15-6-4-3-5-12(15)7-8-13-9-10-14-17(24(13)16(25)11-20)18(21)23-19(22-14)27-2/h3-6,13H,7-11H2,1-2H3,(H2,21,22,23)
InChIKeyNCGUHOOWEKSYIJ-UHFFFAOYSA-N
XLogP2.60
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone?
The IUPAC name of 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone (CID 162673296) is 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone.
What is the SMILES notation for 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone?
The canonical SMILES for 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone is COc1nc(N)c2c(n1)CCC(CCc1ccccc1OC)N2C(=O)CCl.
What is the InChIKey of 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone?
The InChIKey is NCGUHOOWEKSYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-26-15-6-4-3-5-12(15)7-8-13-9-10-14-17(24(13)16(25)11-20)18(21)23-19(22-14)27-2/h3-6,13H,7-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone?
1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone has a molecular weight of 390.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-methoxy-6-[2-(2-methoxyphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]-2-chloroethanone is sourced from PubChem (CID 162673296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).