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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Related Compounds

(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122051780
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
N,N-dimethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyrimidin-2-amine
CID 64829451
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534
4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64831296
(3S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085574
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948

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).