2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid

C10H13N3O3 — CID 83891041

IUPAC2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
SMILESCOc1nc(CC(=O)O)nc2c1CNCC2
InChIInChI=1S/C10H13N3O3/c1-16-10-6-5-11-3-2-7(6)12-8(13-10)4-9(14)15/h11H,2-5H2,1H3,(H,14,15)
InChIKeyFRGGQYNHEWRTQL-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.24
Rot. Bonds3

About 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid

2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid (PubChem CID 83891041) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
PubChem CID83891041
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
SMILESCOc1nc(CC(=O)O)nc2c1CNCC2
InChIInChI=1S/C10H13N3O3/c1-16-10-6-5-11-3-2-7(6)12-8(13-10)4-9(14)15/h11H,2-5H2,1H3,(H,14,15)
InChIKeyFRGGQYNHEWRTQL-UHFFFAOYSA-N
XLogP-0.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
2-ethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105447306
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
2-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)acetic acid
CID 83862859
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052
N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 105498037
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
CID 84795271
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
N,N-diethyl-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 117101191

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid (CID 83891041) is 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid is COc1nc(CC(=O)O)nc2c1CNCC2.
What is the InChIKey of 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid?
The InChIKey is FRGGQYNHEWRTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-10-6-5-11-3-2-7(6)12-8(13-10)4-9(14)15/h11H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid?
2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 83891041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).