6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine

C12H19ClN4 — CID 83020197

IUPAC6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NN1C(C)CCCC1C
InChIInChI=1S/C12H19ClN4/c1-8-5-4-6-9(2)17(8)16-12-10(3)11(13)14-7-15-12/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyZMDYZSQLOPAALX-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.03
Rot. Bonds2

About 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine

6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine (PubChem CID 83020197) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
PubChem CID83020197
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NN1C(C)CCCC1C
InChIInChI=1S/C12H19ClN4/c1-8-5-4-6-9(2)17(8)16-12-10(3)11(13)14-7-15-12/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyZMDYZSQLOPAALX-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281
N-(2,6-dimethylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686620
6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83022753
N-(2,6-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 83026527
6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 63728358
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine
CID 83027879
6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 64923632
3,5-dichloro-N-(2,6-dimethylpiperidin-1-yl)-6-hydrazinylpyridin-2-amine
CID 102762504
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
6-chloro-N-(1-cyclopropylethyl)-5-methylpyrimidin-4-amine
CID 63730461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine (CID 83020197) is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NN1C(C)CCCC1C.
What is the InChIKey of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The InChIKey is ZMDYZSQLOPAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-5-4-6-9(2)17(8)16-12-10(3)11(13)14-7-15-12/h7-9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 83020197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).