5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C17H18N4O2 — CID 66958868

IUPAC5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)cc3)nc(N)c2c1=O
InChIInChI=1S/C17H18N4O2/c1-17(2,23)11-6-4-10(5-7-11)12-8-13-14(15(18)20-12)16(22)21(3)9-19-13/h4-9,23H,1-3H3,(H2,18,20)
InChIKeyHZQCPJHMANEWNE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.81
Rot. Bonds2

About 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958868) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958868
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)cc3)nc(N)c2c1=O
InChIInChI=1S/C17H18N4O2/c1-17(2,23)11-6-4-10(5-7-11)12-8-13-14(15(18)20-12)16(22)21(3)9-19-13/h4-9,23H,1-3H3,(H2,18,20)
InChIKeyHZQCPJHMANEWNE-UHFFFAOYSA-N
XLogP1.81
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958868) is 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)cc3)nc(N)c2c1=O.
What is the InChIKey of 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HZQCPJHMANEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2,23)11-6-4-10(5-7-11)12-8-13-14(15(18)20-12)16(22)21(3)9-19-13/h4-9,23H,1-3H3,(H2,18,20).
What are the key properties of 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).