N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C19H26N4 — CID 112885264

IUPACN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4/c1-3-22(15-17-7-5-4-6-8-17)18-9-12-20-19(21-18)23-13-10-16(2)11-14-23/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyRZDPZHTWYZTNBF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.74
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112885264) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112885264
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4/c1-3-22(15-17-7-5-4-6-8-17)18-9-12-20-19(21-18)23-13-10-16(2)11-14-23/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyRZDPZHTWYZTNBF-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[benzyl(ethyl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112892902
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112885264) is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CCN(Cc1ccccc1)c1ccnc(N2CCC(C)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is RZDPZHTWYZTNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-22(15-17-7-5-4-6-8-17)18-9-12-20-19(21-18)23-13-10-16(2)11-14-23/h4-9,12,16H,3,10-11,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.74, 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-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112885264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).