5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine

C11H17ClN4 — CID 106812346

IUPAC5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2ncnc(N)c2Cl)CC1C
InChIInChI=1S/C11H17ClN4/c1-7-3-4-16(5-8(7)2)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyNXZCTWWDEYLYOR-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.19
Rot. Bonds1

About 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine

5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 106812346) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID106812346
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2ncnc(N)c2Cl)CC1C
InChIInChI=1S/C11H17ClN4/c1-7-3-4-16(5-8(7)2)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyNXZCTWWDEYLYOR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 106812177
(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 138511172
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683982
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
CID 102752005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine (CID 106812346) is 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine is CC1CCN(c2ncnc(N)c2Cl)CC1C.
What is the InChIKey of 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NXZCTWWDEYLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-7-3-4-16(5-8(7)2)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine?
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 106812346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).