4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine

C13H23N5 — CID 80793194

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyXHALIHSOQDBBFB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds3

About 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine

4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 80793194) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID80793194
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyXHALIHSOQDBBFB-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087
N,5-dimethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-amine
CID 80825366
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
[5-methyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80899468
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80847602
1,3,3-trimethyl-4-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80854837
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine (CID 80793194) is 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(N2CCC(N(C)C)CC2)n1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is XHALIHSOQDBBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80793194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).