6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine

C13H22N4 — CID 80828637

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCCC2(C)C)c1C
InChIInChI=1S/C13H22N4/c1-9-11(14-5)15-10(2)16-12(9)17-8-6-7-13(17,3)4/h6-8H2,1-5H3,(H,14,15,16)
InChIKeySLVRSLLINIPULG-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.51
Rot. Bonds2

About 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine

6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80828637) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80828637
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCCC2(C)C)c1C
InChIInChI=1S/C13H22N4/c1-9-11(14-5)15-10(2)16-12(9)17-8-6-7-13(17,3)4/h6-8H2,1-5H3,(H,14,15,16)
InChIKeySLVRSLLINIPULG-UHFFFAOYSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80828149
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 102729117
N,2,5-trimethyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80856296
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
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-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80844651
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755883

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine (CID 80828637) is 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(N2CCCC2(C)C)c1C.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is SLVRSLLINIPULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-11(14-5)15-10(2)16-12(9)17-8-6-7-13(17,3)4/h6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80828637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).