4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

C22H22N4 — CID 112933523

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H22N4/c1-3-13-23-22-24-19(17-9-5-4-6-10-17)15-21(25-22)26-16(2)14-18-11-7-8-12-20(18)26/h3-12,15-16H,1,13-14H2,2H3,(H,23,24,25)
InChIKeyOBVRVVDITMDHDE-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.82
Rot. Bonds5

About 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112933523) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID112933523
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H22N4/c1-3-13-23-22-24-19(17-9-5-4-6-10-17)15-21(25-22)26-16(2)14-18-11-7-8-12-20(18)26/h3-12,15-16H,1,13-14H2,2H3,(H,23,24,25)
InChIKeyOBVRVVDITMDHDE-UHFFFAOYSA-N
XLogP4.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.82
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-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112936856
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933469
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933440
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
CID 112935236
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
CID 112880478
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (CID 112933523) is 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is OBVRVVDITMDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-13-23-22-24-19(17-9-5-4-6-10-17)15-21(25-22)26-16(2)14-18-11-7-8-12-20(18)26/h3-12,15-16H,1,13-14H2,2H3,(H,23,24,25).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112933523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).