2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid

C12H16N4O5 — CID 107629128

IUPAC2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1cc(OC)nc(NC(=O)N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C12H16N4O5/c1-20-8-4-9(21-2)14-11(13-8)15-12(19)16-5-7(6-16)3-10(17)18/h4,7H,3,5-6H2,1-2H3,(H,17,18)(H,13,14,15,19)
InChIKeyYSYXIZRLXVZGMP-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.43
Rot. Bonds5

About 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 107629128) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID107629128
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1cc(OC)nc(NC(=O)N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C12H16N4O5/c1-20-8-4-9(21-2)14-11(13-8)15-12(19)16-5-7(6-16)3-10(17)18/h4,7H,3,5-6H2,1-2H3,(H,17,18)(H,13,14,15,19)
InChIKeyYSYXIZRLXVZGMP-UHFFFAOYSA-N
XLogP0.43
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107629310
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618820
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64616835

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid (CID 107629128) is 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid is COc1cc(OC)nc(NC(=O)N2CC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is YSYXIZRLXVZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-20-8-4-9(21-2)14-11(13-8)15-12(19)16-5-7(6-16)3-10(17)18/h4,7H,3,5-6H2,1-2H3,(H,17,18)(H,13,14,15,19).
What are the key properties of 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107629128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).