N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C17H22N4 — CID 112855661

IUPACN-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H22N4/c1-2-20(13-15-8-4-3-5-9-15)16-12-17(19-14-18-16)21-10-6-7-11-21/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3
InChIKeyPQPNGGRLRZVOHU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855661) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855661
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H22N4/c1-2-20(13-15-8-4-3-5-9-15)16-12-17(19-14-18-16)21-10-6-7-11-21/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3
InChIKeyPQPNGGRLRZVOHU-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
CID 86318094
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855661) is N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine is CCN(Cc1ccccc1)c1cc(N2CCCC2)ncn1.
What is the InChIKey of N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is PQPNGGRLRZVOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-20(13-15-8-4-3-5-9-15)16-12-17(19-14-18-16)21-10-6-7-11-21/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3.
What are the key properties of N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.10, 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-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).