1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine

C13H22N4 — CID 114267758

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
SMILESCc1cc(C)nc(N2CCC(N)C(C)(C)C2)n1
InChIInChI=1S/C13H22N4/c1-9-7-10(2)16-12(15-9)17-6-5-11(14)13(3,4)8-17/h7,11H,5-6,8,14H2,1-4H3
InChIKeyAVTJDYSCVZKICU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.66
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine

1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine (PubChem CID 114267758) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
PubChem CID114267758
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
SMILESCc1cc(C)nc(N2CCC(N)C(C)(C)C2)n1
InChIInChI=1S/C13H22N4/c1-9-7-10(2)16-12(15-9)17-6-5-11(14)13(3,4)8-17/h7,11H,5-6,8,14H2,1-4H3
InChIKeyAVTJDYSCVZKICU-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
1-(3,5-dimethylphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024361
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 84588620
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
CID 122269420
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 106838422
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
CID 143641692

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine (CID 114267758) is 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine is Cc1cc(C)nc(N2CCC(N)C(C)(C)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is AVTJDYSCVZKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-7-10(2)16-12(15-9)17-6-5-11(14)13(3,4)8-17/h7,11H,5-6,8,14H2,1-4H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).