1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine

C17H21ClN4 — CID 56767147

IUPAC1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
SMILESCc1nc(-c2cccc(Cl)c2)nc(N2CCC(N)CC2)c1C
InChIInChI=1S/C17H21ClN4/c1-11-12(2)20-16(13-4-3-5-14(18)10-13)21-17(11)22-8-6-15(19)7-9-22/h3-5,10,15H,6-9,19H2,1-2H3
InChIKeyMUFFGDWDJJUAIV-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.34
Rot. Bonds2

About 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine

1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine (PubChem CID 56767147) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
PubChem CID56767147
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
SMILESCc1nc(-c2cccc(Cl)c2)nc(N2CCC(N)CC2)c1C
InChIInChI=1S/C17H21ClN4/c1-11-12(2)20-16(13-4-3-5-14(18)10-13)21-17(11)22-8-6-15(19)7-9-22/h3-5,10,15H,6-9,19H2,1-2H3
InChIKeyMUFFGDWDJJUAIV-UHFFFAOYSA-N
XLogP3.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine (CID 56767147) is 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine is Cc1nc(-c2cccc(Cl)c2)nc(N2CCC(N)CC2)c1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine?
The InChIKey is MUFFGDWDJJUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-11-12(2)20-16(13-4-3-5-14(18)10-13)21-17(11)22-8-6-15(19)7-9-22/h3-5,10,15H,6-9,19H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine?
1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 56767147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).