5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine

C11H17ClN4 — CID 106811990

IUPAC5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1(C)CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C11H17ClN4/c1-11(2)3-5-16(6-4-11)10-8(12)9(13)14-7-15-10/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVBARJIQLFDBDFD-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.34
Rot. Bonds1

About 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine

5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 106811990) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID106811990
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1(C)CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C11H17ClN4/c1-11(2)3-5-16(6-4-11)10-8(12)9(13)14-7-15-10/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVBARJIQLFDBDFD-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80823749
1-(6-amino-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108883
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 106812177
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyrimidin-4-amine
CID 106811734
5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 106812004
6-(4,4-diethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80831059
4-(6-amino-5-chloropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 100652961
4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide
CID 118053775
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine (CID 106811990) is 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine is CC1(C)CCN(c2ncnc(N)c2Cl)CC1.
What is the InChIKey of 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VBARJIQLFDBDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-11(2)3-5-16(6-4-11)10-8(12)9(13)14-7-15-10/h7H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 106811990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).