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

C18H24N4 — CID 117212039

IUPAC1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
SMILESCCc1nc(-c2ccc(C)cc2)ncc1N1CCC(N)CC1
InChIInChI=1S/C18H24N4/c1-3-16-17(22-10-8-15(19)9-11-22)12-20-18(21-16)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,19H2,1-2H3
InChIKeyICSWINXNTJJZET-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.94
Rot. Bonds3

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

1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine (PubChem CID 117212039) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
PubChem CID117212039
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
SMILESCCc1nc(-c2ccc(C)cc2)ncc1N1CCC(N)CC1
InChIInChI=1S/C18H24N4/c1-3-16-17(22-10-8-15(19)9-11-22)12-20-18(21-16)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,19H2,1-2H3
InChIKeyICSWINXNTJJZET-UHFFFAOYSA-N
XLogP2.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
CID 117212294
1-(2-cyclobutyl-4-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117212011
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117211255
4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117212241
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077
5-(4-aminopiperidin-1-yl)-6-ethyl-1H-pyrimidin-2-one
CID 117211358
2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
1-(4-cyclopentyl-2-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117211578
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 56767168
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine (CID 117212039) is 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine is CCc1nc(-c2ccc(C)cc2)ncc1N1CCC(N)CC1.
What is the InChIKey of 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
The InChIKey is ICSWINXNTJJZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-16-17(22-10-8-15(19)9-11-22)12-20-18(21-16)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11,19H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine?
1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine is sourced from PubChem (CID 117212039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).