2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H21N5O3 — CID 67238580

IUPAC2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cccc(OC)n2)c(C2Cc3nc(N)nc(C)c3C(=O)N2)c1
InChIInChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)14-9-12(28-2)7-8-13(14)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)
InChIKeyZILAGEBEZFRQBB-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238580) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID67238580
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cccc(OC)n2)c(C2Cc3nc(N)nc(C)c3C(=O)N2)c1
InChIInChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)14-9-12(28-2)7-8-13(14)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)
InChIKeyZILAGEBEZFRQBB-UHFFFAOYSA-N
XLogP2.47
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 67238580) is 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1ccc(-c2cccc(OC)n2)c(C2Cc3nc(N)nc(C)c3C(=O)N2)c1.
What is the InChIKey of 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ZILAGEBEZFRQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)14-9-12(28-2)7-8-13(14)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26).
What are the key properties of 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 391.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).