6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine

C15H27N5 — CID 80805607

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(CN(C)C)CC2)c1C
InChIInChI=1S/C15H27N5/c1-11-14(16-3)17-12(2)18-15(11)20-8-6-13(7-9-20)10-19(4)5/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyJSUBWBRZEVKMBB-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.91
Rot. Bonds4

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80805607) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80805607
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(CN(C)C)CC2)c1C
InChIInChI=1S/C15H27N5/c1-11-14(16-3)17-12(2)18-15(11)20-8-6-13(7-9-20)10-19(4)5/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyJSUBWBRZEVKMBB-UHFFFAOYSA-N
XLogP1.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
6-[3-(dimethylamino)piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80856401
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
6-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80993261
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80844651
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80823095
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
CID 55012097

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine (CID 80805607) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(N2CCC(CN(C)C)CC2)c1C.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is JSUBWBRZEVKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-14(16-3)17-12(2)18-15(11)20-8-6-13(7-9-20)10-19(4)5/h13H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80805607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).