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

C18H22N4O — CID 109296868

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCC(C)CNc1nccc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C18H22N4O/c1-12(2)11-20-18-19-9-8-15(21-18)17(23)22-13(3)10-14-6-4-5-7-16(14)22/h4-9,12-13H,10-11H2,1-3H3,(H,19,20,21)
InChIKeyJWERMTLEEDFUFH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.14
Rot. Bonds4

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

(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone (PubChem CID 109296868) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
PubChem CID109296868
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCC(C)CNc1nccc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C18H22N4O/c1-12(2)11-20-18-19-9-8-15(21-18)17(23)22-13(3)10-14-6-4-5-7-16(14)22/h4-9,12-13H,10-11H2,1-3H3,(H,19,20,21)
InChIKeyJWERMTLEEDFUFH-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109318302
[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109311670
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109309014
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone (CID 109296868) is (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone is CC(C)CNc1nccc(C(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The InChIKey is JWERMTLEEDFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)11-20-18-19-9-8-15(21-18)17(23)22-13(3)10-14-6-4-5-7-16(14)22/h4-9,12-13H,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.14, 4 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-(2-methylpropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109296868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).