N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine

C18H24N4 — CID 112884459

IUPACN-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(N2CCCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-21(15-16-9-5-3-6-10-16)18-19-12-11-17(20-18)22-13-7-4-8-14-22/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3
InChIKeyFKLNUKRXYODJAY-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.49
Rot. Bonds5

About N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine

N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884459) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884459
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(N2CCCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-21(15-16-9-5-3-6-10-16)18-19-12-11-17(20-18)22-13-7-4-8-14-22/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3
InChIKeyFKLNUKRXYODJAY-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine (CID 112884459) is N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine is CCN(Cc1ccccc1)c1nccc(N2CCCCC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is FKLNUKRXYODJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-21(15-16-9-5-3-6-10-16)18-19-12-11-17(20-18)22-13-7-4-8-14-22/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine?
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).