2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine

C12H20N4 — CID 95969706

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2C[C@@H](C)C[C@H](C)C2)n1
InChIInChI=1S/C12H20N4/c1-8-4-9(2)7-16(6-8)12-14-10(3)5-11(13)15-12/h5,8-9H,4,6-7H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1
InChIKeyDQJISTIYNJFIOL-IUCAKERBSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds1

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 95969706) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID95969706
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2C[C@@H](C)C[C@H](C)C2)n1
InChIInChI=1S/C12H20N4/c1-8-4-9(2)7-16(6-8)12-14-10(3)5-11(13)15-12/h5,8-9H,4,6-7H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1
InChIKeyDQJISTIYNJFIOL-IUCAKERBSA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 56724753
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol
CID 154770912
2-[(2S)-2-ethenylmorpholin-4-yl]-6-methylpyrimidin-4-amine
CID 176689397
2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-amine
CID 171430479
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-amine
CID 78989037
5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362049

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine (CID 95969706) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(N2C[C@@H](C)C[C@H](C)C2)n1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is DQJISTIYNJFIOL-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-4-9(2)7-16(6-8)12-14-10(3)5-11(13)15-12/h5,8-9H,4,6-7H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 95969706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).