2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid

C12H19N3O2 — CID 14718719

IUPAC2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid
SMILESCN(C)c1ncc(C(C(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9(10(16)17)8-6-13-11(14-7-8)15(4)5/h6-7,9H,1-5H3,(H,16,17)
InChIKeyHRJGXGMRSPZLBU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds3

About 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid

2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid (PubChem CID 14718719) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid
PubChem CID14718719
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid
SMILESCN(C)c1ncc(C(C(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9(10(16)17)8-6-13-11(14-7-8)15(4)5/h6-7,9H,1-5H3,(H,16,17)
InChIKeyHRJGXGMRSPZLBU-UHFFFAOYSA-N
XLogP1.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 21471675
CID 21471675
CID 21471617
CID 21471617
CID 55267811
CID 55267811
CID 55268291
CID 55268291
CID 67009943
CID 67009943
CID 62490683
CID 62490683
CID 86775535
CID 86775535
CID 13911487
CID 13911487
CID 14718715
CID 14718715
CID 14718748
CID 14718748
CID 20060707
CID 20060707
CID 20060711
CID 20060711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid (CID 14718719) is 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid is CN(C)c1ncc(C(C(=O)O)C(C)(C)C)cn1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid?
The InChIKey is HRJGXGMRSPZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)9(10(16)17)8-6-13-11(14-7-8)15(4)5/h6-7,9H,1-5H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid?
2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 14718719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).