N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine

C20H19ClN4 — CID 112897064

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CCNc2ccnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H19ClN4/c21-17-7-5-15(6-8-17)9-12-22-19-10-13-23-20(24-19)25-14-11-16-3-1-2-4-18(16)25/h1-8,10,13H,9,11-12,14H2,(H,22,23,24)
InChIKeyPLRNUZUHCPYQFA-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112897064) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112897064
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CCNc2ccnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H19ClN4/c21-17-7-5-15(6-8-17)9-12-22-19-10-13-23-20(24-19)25-14-11-16-3-1-2-4-18(16)25/h1-8,10,13H,9,11-12,14H2,(H,22,23,24)
InChIKeyPLRNUZUHCPYQFA-UHFFFAOYSA-N
XLogP4.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112897043
N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112926469
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
1-[4-[4-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889003
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112897064) is N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine is Clc1ccc(CCNc2ccnc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is PLRNUZUHCPYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-17-7-5-15(6-8-17)9-12-22-19-10-13-23-20(24-19)25-14-11-16-3-1-2-4-18(16)25/h1-8,10,13H,9,11-12,14H2,(H,22,23,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 350.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112897064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).