1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine

C17H22N4 — CID 117211255

IUPAC1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
SMILESCc1ccc(-c2nc(C)ncc2N2CCC(N)CC2)cc1
InChIInChI=1S/C17H22N4/c1-12-3-5-14(6-4-12)17-16(11-19-13(2)20-17)21-9-7-15(18)8-10-21/h3-6,11,15H,7-10,18H2,1-2H3
InChIKeyATPMZMPOORGWBL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds2

About 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine

1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine (PubChem CID 117211255) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
PubChem CID117211255
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
SMILESCc1ccc(-c2nc(C)ncc2N2CCC(N)CC2)cc1
InChIInChI=1S/C17H22N4/c1-12-3-5-14(6-4-12)17-16(11-19-13(2)20-17)21-9-7-15(18)8-10-21/h3-6,11,15H,7-10,18H2,1-2H3
InChIKeyATPMZMPOORGWBL-UHFFFAOYSA-N
XLogP2.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The IUPAC name of 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine (CID 117211255) is 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine is Cc1ccc(-c2nc(C)ncc2N2CCC(N)CC2)cc1.
What is the InChIKey of 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The InChIKey is ATPMZMPOORGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-3-5-14(6-4-12)17-16(11-19-13(2)20-17)21-9-7-15(18)8-10-21/h3-6,11,15H,7-10,18H2,1-2H3.
What are the key properties of 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine is sourced from PubChem (CID 117211255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).