N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine

C22H24N4 — CID 112892929

IUPACN-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H24N4/c1-2-25(17-18-9-4-3-5-10-18)21-14-15-23-22(24-21)26-16-8-12-19-11-6-7-13-20(19)26/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3
InChIKeyAHCVJHJKDKYLME-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.59
Rot. Bonds5

About N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine

N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine (PubChem CID 112892929) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
PubChem CID112892929
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H24N4/c1-2-25(17-18-9-4-3-5-10-18)21-14-15-23-22(24-21)26-16-8-12-19-11-6-7-13-20(19)26/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3
InChIKeyAHCVJHJKDKYLME-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
ethyl 4-[4-[benzyl(ethyl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112892902
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
CID 24834345
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine (CID 112892929) is N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine is CCN(Cc1ccccc1)c1ccnc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is AHCVJHJKDKYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-25(17-18-9-4-3-5-10-18)21-14-15-23-22(24-21)26-16-8-12-19-11-6-7-13-20(19)26/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3.
What are the key properties of N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine?
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 112892929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).