2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

C12H17N3O4 — CID 115354718

IUPAC2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESCOc1cc(OC)nc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-4-8(15)6-11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyDTZDKSHVJJIPKM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.94
Rot. Bonds5

About 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 115354718) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
PubChem CID115354718
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESCOc1cc(OC)nc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-4-8(15)6-11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyDTZDKSHVJJIPKM-UHFFFAOYSA-N
XLogP0.94
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112635132
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66442944
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 168942281
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
CID 116976841
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
methyl 2-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]acetate
CID 63587218
2-[4-(4-methoxypyrimidin-2-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518663
2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 83180688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (CID 115354718) is 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is COc1cc(OC)nc(N2CCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is DTZDKSHVJJIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-4-8(15)6-11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 115354718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).