4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C17H20N4O2 — CID 59435529

IUPAC4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(N)c2c(n1)CCN(c1ccc(C(C)C)cc1)C2=O
InChIInChI=1S/C17H20N4O2/c1-10(2)11-4-6-12(7-5-11)21-9-8-13-14(16(21)22)15(18)20-17(19-13)23-3/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyPGVOBQNQQSINKP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.39
Rot. Bonds3

About 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 59435529) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID59435529
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(N)c2c(n1)CCN(c1ccc(C(C)C)cc1)C2=O
InChIInChI=1S/C17H20N4O2/c1-10(2)11-4-6-12(7-5-11)21-9-8-13-14(16(21)22)15(18)20-17(19-13)23-3/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyPGVOBQNQQSINKP-UHFFFAOYSA-N
XLogP2.39
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 59435529) is 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1nc(N)c2c(n1)CCN(c1ccc(C(C)C)cc1)C2=O.
What is the InChIKey of 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is PGVOBQNQQSINKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)11-4-6-12(7-5-11)21-9-8-13-14(16(21)22)15(18)20-17(19-13)23-3/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 312.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-6-(4-propan-2-ylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 59435529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).