4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

C13H22N4 — CID 77438456

IUPAC4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCC(C)CN2)n1
InChIInChI=1S/C13H22N4/c1-9-4-5-12(14-7-9)8-15-13-16-10(2)6-11(3)17-13/h6,9,12,14H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyWBMHOZPCIGUDGQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.89
Rot. Bonds3

About 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 77438456) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID77438456
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCC(C)CN2)n1
InChIInChI=1S/C13H22N4/c1-9-4-5-12(14-7-9)8-15-13-16-10(2)6-11(3)17-13/h6,9,12,14H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyWBMHOZPCIGUDGQ-UHFFFAOYSA-N
XLogP1.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (CID 77438456) is 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2CCC(C)CN2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is WBMHOZPCIGUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-4-5-12(14-7-9)8-15-13-16-10(2)6-11(3)17-13/h6,9,12,14H,4-5,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 77438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).