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

C21H26N4 — CID 112885650

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C21H26N4/c1-16-15-18-9-5-6-10-19(18)25(16)20-12-14-23-21(24-20)22-13-11-17-7-3-2-4-8-17/h5-7,9-10,12,14,16H,2-4,8,11,13,15H2,1H3,(H,22,23,24)
InChIKeyMBMGQNSGDPDEIG-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.86
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112885650) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112885650
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C21H26N4/c1-16-15-18-9-5-6-10-19(18)25(16)20-12-14-23-21(24-20)22-13-11-17-7-3-2-4-8-17/h5-7,9-10,12,14,16H,2-4,8,11,13,15H2,1H3,(H,22,23,24)
InChIKeyMBMGQNSGDPDEIG-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112911256
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112885650) is N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is CC1Cc2ccccc2N1c1ccnc(NCCC2=CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is MBMGQNSGDPDEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16-15-18-9-5-6-10-19(18)25(16)20-12-14-23-21(24-20)22-13-11-17-7-3-2-4-8-17/h5-7,9-10,12,14,16H,2-4,8,11,13,15H2,1H3,(H,22,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 334.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).