2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid

C10H13ClN2O3 — CID 83852761

IUPAC2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid
SMILESCC(C)(C)n1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)13-6(5-8(14)15)4-7(11)12-9(13)16/h4H,5H2,1-3H3,(H,14,15)
InChIKeyCXETZCNNERODHV-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.28
Rot. Bonds2

About 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid

2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852761) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852761
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid
SMILESCC(C)(C)n1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)13-6(5-8(14)15)4-7(11)12-9(13)16/h4H,5H2,1-3H3,(H,14,15)
InChIKeyCXETZCNNERODHV-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
2-(6-Chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852134
2-(3-Tert-butyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852233
2-(6-Chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852345
2-(6-Chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
2-(6-Chloro-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852567
2-[6-Chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852762

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid (CID 83852761) is 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid is CC(C)(C)n1c(CC(=O)O)cc(Cl)nc1=O.
What is the InChIKey of 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is CXETZCNNERODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(2,3)13-6(5-8(14)15)4-7(11)12-9(13)16/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid?
2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 244.68 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).