2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone

C22H22N4O — CID 109356603

IUPAC2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCC(C)c1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-21-13-19(23-14-24-21)22(27)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyUZAOMIZAMQPSLF-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.55
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 109356603) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
PubChem CID109356603
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCC(C)c1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-21-13-19(23-14-24-21)22(27)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyUZAOMIZAMQPSLF-UHFFFAOYSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (CID 109356603) is 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is CC(C)c1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The InChIKey is UZAOMIZAMQPSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-21-13-19(23-14-24-21)22(27)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).