4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine

C12H21N5 — CID 64830681

IUPAC4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCCCC2CN)n1
InChIInChI=1S/C12H21N5/c1-16(2)12-14-7-6-11(15-12)17-8-4-3-5-10(17)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyMLHTZGQHXFSEPC-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.86
Rot. Bonds3

About 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830681) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID64830681
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCCCC2CN)n1
InChIInChI=1S/C12H21N5/c1-16(2)12-14-7-6-11(15-12)17-8-4-3-5-10(17)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyMLHTZGQHXFSEPC-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64831296
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
N,N-dimethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyrimidin-2-amine
CID 64829451
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 64830681) is 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2CCCCC2CN)n1.
What is the InChIKey of 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is MLHTZGQHXFSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(2)12-14-7-6-11(15-12)17-8-4-3-5-10(17)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).