4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C12H17N3O3 — CID 138636037

IUPAC4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C(C)C)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C12H17N3O3/c1-7(2)10-13-9-6-15(12(16)17)5-4-8(9)11(14-10)18-3/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyBUVRRPLHXSDKCM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.64
Rot. Bonds2

About 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 138636037) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID138636037
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C(C)C)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C12H17N3O3/c1-7(2)10-13-9-6-15(12(16)17)5-4-8(9)11(14-10)18-3/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyBUVRRPLHXSDKCM-UHFFFAOYSA-N
XLogP1.64
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
2-tert-butyl-4-(trifluoromethylsulfonyloxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 134279673
4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635934
2-Cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636045
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 163223046
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 163223212
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
7-Methanidyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
CID 58778084
2,4-Dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83668190
2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 83835414

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 138636037) is 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is COc1nc(C(C)C)nc2c1CCN(C(=O)O)C2.
What is the InChIKey of 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is BUVRRPLHXSDKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(2)10-13-9-6-15(12(16)17)5-4-8(9)11(14-10)18-3/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 138636037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).