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

C22H22N4O2 — CID 109356624

IUPAC2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O2/c1-15(2)28-20-10-6-4-8-17(20)25-21-13-18(23-14-24-21)22(27)26-12-11-16-7-3-5-9-19(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyNLGRLPUIBJWBRI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds5

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

2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (PubChem CID 109356624) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
PubChem CID109356624
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O2/c1-15(2)28-20-10-6-4-8-17(20)25-21-13-18(23-14-24-21)22(27)26-12-11-16-7-3-5-9-19(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyNLGRLPUIBJWBRI-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
2-(2,3-dihydroindol-1-yl)-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108986778
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (CID 109356624) is 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is CC(C)Oc1ccccc1Nc1cc(C(=O)N2CCc3ccccc32)ncn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The InChIKey is NLGRLPUIBJWBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(2)28-20-10-6-4-8-17(20)25-21-13-18(23-14-24-21)22(27)26-12-11-16-7-3-5-9-19(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-yloxyanilino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).