3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid

C11H15N3O5 — CID 119347873

IUPAC3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
SMILESCOc1ncnc(OC)c1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H15N3O5/c1-6(4-7(15)16)14-9(17)8-10(18-2)12-5-13-11(8)19-3/h5-6H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyJERMQLXBLDTEPN-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.09
Rot. Bonds6

About 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid

3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid (PubChem CID 119347873) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
PubChem CID119347873
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
SMILESCOc1ncnc(OC)c1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H15N3O5/c1-6(4-7(15)16)14-9(17)8-10(18-2)12-5-13-11(8)19-3/h5-6H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyJERMQLXBLDTEPN-UHFFFAOYSA-N
XLogP0.09
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
4,6-dimethoxy-N-methylpyrimidine-5-carboxamide
CID 144810689
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528815
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
CID 66334158
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 120534735
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid (CID 119347873) is 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid is COc1ncnc(OC)c1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid?
The InChIKey is JERMQLXBLDTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(4-7(15)16)14-9(17)8-10(18-2)12-5-13-11(8)19-3/h5-6H,4H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid?
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).