1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid

C12H18N4O2 — CID 64831026

IUPAC1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCN(C)c1nccc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-7-6-10(14-12)16-8-4-3-5-9(16)11(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyNFTCMGHDOMZABF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid

1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid (PubChem CID 64831026) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
PubChem CID64831026
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCN(C)c1nccc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-7-6-10(14-12)16-8-4-3-5-9(16)11(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyNFTCMGHDOMZABF-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid (CID 64831026) is 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid is CN(C)c1nccc(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid?
The InChIKey is NFTCMGHDOMZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)12-13-7-6-10(14-12)16-8-4-3-5-9(16)11(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid?
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 64831026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).