2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid

C12H19N3O4 — CID 136965149

IUPAC2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOC(c1nc(N)c(CC(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C12H19N3O4/c1-4-19-9(6(2)3)11-14-10(13)7(5-8(16)17)12(18)15-11/h6,9H,4-5H2,1-3H3,(H,16,17)(H3,13,14,15,18)
InChIKeyAPMDWPVLISBIBK-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.71
Rot. Bonds6

About 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid

2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 136965149) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID136965149
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOC(c1nc(N)c(CC(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C12H19N3O4/c1-4-19-9(6(2)3)11-14-10(13)7(5-8(16)17)12(18)15-11/h6,9H,4-5H2,1-3H3,(H,16,17)(H3,13,14,15,18)
InChIKeyAPMDWPVLISBIBK-UHFFFAOYSA-N
XLogP0.71
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116705690
2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136997613
2-[4-amino-2-(3-ethoxypentan-3-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136964594
2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136983325
2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136889966
4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one
CID 136955125
2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136997880
2-[4-amino-2-(4-methoxyoxan-4-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136964595
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]acetamide
CID 136773107
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 136965149) is 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is CCOC(c1nc(N)c(CC(=O)O)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is APMDWPVLISBIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-19-9(6(2)3)11-14-10(13)7(5-8(16)17)12(18)15-11/h6,9H,4-5H2,1-3H3,(H,16,17)(H3,13,14,15,18).
What are the key properties of 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 136965149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).