2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid

C16H17N3O3 — CID 175236339

IUPAC2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCC1(C)Cc2nc(-c3ccc(O)cc3)ncc2CN1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-16(2)7-13-11(9-19(16)15(21)22)8-17-14(18-13)10-3-5-12(20)6-4-10/h3-6,8,20H,7,9H2,1-2H3,(H,21,22)
InChIKeyWHAKFMQIIGQCDV-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.66
Rot. Bonds1

About 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid

2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 175236339) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID175236339
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCC1(C)Cc2nc(-c3ccc(O)cc3)ncc2CN1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-16(2)7-13-11(9-19(16)15(21)22)8-17-14(18-13)10-3-5-12(20)6-4-10/h3-6,8,20H,7,9H2,1-2H3,(H,21,22)
InChIKeyWHAKFMQIIGQCDV-UHFFFAOYSA-N
XLogP2.66
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 175236339) is 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid is CC1(C)Cc2nc(-c3ccc(O)cc3)ncc2CN1C(=O)O.
What is the InChIKey of 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is WHAKFMQIIGQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(2)7-13-11(9-19(16)15(21)22)8-17-14(18-13)10-3-5-12(20)6-4-10/h3-6,8,20H,7,9H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid?
2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 175236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).