6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine

C12H20N4 — CID 129372140

IUPAC6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCC[C@H]1CCCCN1c1cc(NC)ncn1
InChIInChI=1S/C12H20N4/c1-3-10-6-4-5-7-16(10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m0/s1
InChIKeyVFQBOABEDSHERY-JTQLQIEISA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds3

About 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine

6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 129372140) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID129372140
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCC[C@H]1CCCCN1c1cc(NC)ncn1
InChIInChI=1S/C12H20N4/c1-3-10-6-4-5-7-16(10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m0/s1
InChIKeyVFQBOABEDSHERY-JTQLQIEISA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
CID 102729101
N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864365
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine (CID 129372140) is 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine is CC[C@H]1CCCCN1c1cc(NC)ncn1.
What is the InChIKey of 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is VFQBOABEDSHERY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4/c1-3-10-6-4-5-7-16(10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m0/s1.
What are the key properties of 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine?
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 129372140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).