1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

C19H23N3O2 — CID 137299166

IUPAC1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C19H23N3O2/c1-12-20-16-9-10-22(18(24)19(2,3)4)11-15(16)17(21-12)13-5-7-14(23)8-6-13/h5-8,23H,9-11H2,1-4H3
InChIKeyCIPSKPQROCWLBM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds1

About 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 137299166) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
PubChem CID137299166
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C19H23N3O2/c1-12-20-16-9-10-22(18(24)19(2,3)4)11-15(16)17(21-12)13-5-7-14(23)8-6-13/h5-8,23H,9-11H2,1-4H3
InChIKeyCIPSKPQROCWLBM-UHFFFAOYSA-N
XLogP3.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (CID 137299166) is 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is Cc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CIPSKPQROCWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-20-16-9-10-22(18(24)19(2,3)4)11-15(16)17(21-12)13-5-7-14(23)8-6-13/h5-8,23H,9-11H2,1-4H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 137299166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).