N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

C20H27N5 — CID 173080172

IUPACN-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H27N5/c1-2-25(17-10-4-3-5-11-17)19-16-18(23-12-6-7-13-23)21-20(22-19)24-14-8-9-15-24/h3-5,10-11,16H,2,6-9,12-15H2,1H3
InChIKeyHNLRMLWOUQNOCW-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 173080172) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
PubChem CID173080172
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H27N5/c1-2-25(17-10-4-3-5-11-17)19-16-18(23-12-6-7-13-23)21-20(22-19)24-14-8-9-15-24/h3-5,10-11,16H,2,6-9,12-15H2,1H3
InChIKeyHNLRMLWOUQNOCW-UHFFFAOYSA-N
XLogP3.84
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756957
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
CID 112936528
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
CID 112888148
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
CID 112874796
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (CID 173080172) is N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is CCN(c1ccccc1)c1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is HNLRMLWOUQNOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-25(17-10-4-3-5-11-17)19-16-18(23-12-6-7-13-23)21-20(22-19)24-14-8-9-15-24/h3-5,10-11,16H,2,6-9,12-15H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 173080172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).