2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C12H16N2O3 — CID 43145172

IUPAC2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CC2)c(C)c1CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-10(5-11(15)16)8(2)14(12(17)13-7)6-9-3-4-9/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyFLVRUCXXEFBMDB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.90
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145172) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145172
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CC2)c(C)c1CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-10(5-11(15)16)8(2)14(12(17)13-7)6-9-3-4-9/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyFLVRUCXXEFBMDB-UHFFFAOYSA-N
XLogP0.90
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 113303971
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115408224
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]acetic acid
CID 115521540
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]propanoic acid
CID 115521541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43145172) is 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC2CC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is FLVRUCXXEFBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-10(5-11(15)16)8(2)14(12(17)13-7)6-9-3-4-9/h9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).