N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C22H24N4 — CID 112934155

IUPACN-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C22H24N4/c1-2-26(19-13-7-4-8-14-19)22-23-20(18-11-5-3-6-12-18)17-21(24-22)25-15-9-10-16-25/h3-8,11-14,17H,2,9-10,15-16H2,1H3
InChIKeyMZVUHASKJZPUDM-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.90
Rot. Bonds5

About N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934155) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934155
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C22H24N4/c1-2-26(19-13-7-4-8-14-19)22-23-20(18-11-5-3-6-12-18)17-21(24-22)25-15-9-10-16-25/h3-8,11-14,17H,2,9-10,15-16H2,1H3
InChIKeyMZVUHASKJZPUDM-UHFFFAOYSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756957
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 11441690
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934155) is N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is MZVUHASKJZPUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-26(19-13-7-4-8-14-19)22-23-20(18-11-5-3-6-12-18)17-21(24-22)25-15-9-10-16-25/h3-8,11-14,17H,2,9-10,15-16H2,1H3.
What are the key properties of N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).