(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone

C23H24N4O — CID 109311011

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-17-16-19-11-5-6-12-21(19)27(17)22(28)20-13-15-25-23(26-20)24-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-13,15,17H,7,10,14,16H2,1H3,(H,24,25,26)
InChIKeySISHYQDUSIDMRL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.11
Rot. Bonds6

About (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone (PubChem CID 109311011) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
PubChem CID109311011
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-17-16-19-11-5-6-12-21(19)27(17)22(28)20-13-15-25-23(26-20)24-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-13,15,17H,7,10,14,16H2,1H3,(H,24,25,26)
InChIKeySISHYQDUSIDMRL-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109304559
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109311670
(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109309014
methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109318302
(2-ethylpiperidin-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109310948
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
N-benzyl-N-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097722
[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109339981

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone (CID 109311011) is (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone is CC1Cc2ccccc2N1C(=O)c1ccnc(NCCCc2ccccc2)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone?
The InChIKey is SISHYQDUSIDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-16-19-11-5-6-12-21(19)27(17)22(28)20-13-15-25-23(26-20)24-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-13,15,17H,7,10,14,16H2,1H3,(H,24,25,26).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109311011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).