2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid

C11H16N4O2 — CID 83842195

IUPAC2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc2c(c(NCC(=O)O)n1)CCN(C)C2
InChIInChI=1S/C11H16N4O2/c1-7-13-9-6-15(2)4-3-8(9)11(14-7)12-5-10(16)17/h3-6H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyOXZOOSHNNLDCEK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.27
Rot. Bonds3

About 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid

2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 83842195) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID83842195
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc2c(c(NCC(=O)O)n1)CCN(C)C2
InChIInChI=1S/C11H16N4O2/c1-7-13-9-6-15(2)4-3-8(9)11(14-7)12-5-10(16)17/h3-6H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyOXZOOSHNNLDCEK-UHFFFAOYSA-N
XLogP0.27
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid with MolForge

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Related Compounds

N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578
ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400
4-(benzylamino)-2-methyl-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide
CID 56896743
N-tert-butyl-2-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]acetamide
CID 50957422
2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576457
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045
N-(1,1-dioxothiolan-3-yl)-2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50948693
2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
CID 83839378
3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide
CID 56863265
1-[4-(cyclopropylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-hydroxy-2-methylpropan-1-one
CID 97404658
[1-[4-(benzylamino)-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-methylindol-4-yl]boronic acid
CID 145206016

Frequently Asked Questions

What is the IUPAC name of 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid (CID 83842195) is 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid is Cc1nc2c(c(NCC(=O)O)n1)CCN(C)C2.
What is the InChIKey of 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is OXZOOSHNNLDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-13-9-6-15(2)4-3-8(9)11(14-7)12-5-10(16)17/h3-6H2,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid?
2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83842195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).