(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone

C21H27N5O — CID 109367418

IUPAC(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N3c4ccccc4CC3C)nc(C)n2)CC1
InChIInChI=1S/C21H27N5O/c1-4-24-9-11-25(12-10-24)21(27)18-14-20(23-16(3)22-18)26-15(2)13-17-7-5-6-8-19(17)26/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyZNXZDPOZKYJUJZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.65
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109367418) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
PubChem CID109367418
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N3c4ccccc4CC3C)nc(C)n2)CC1
InChIInChI=1S/C21H27N5O/c1-4-24-9-11-25(12-10-24)21(27)18-14-20(23-16(3)22-18)26-15(2)13-17-7-5-6-8-19(17)26/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyZNXZDPOZKYJUJZ-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
(4-ethylpiperazin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanone
CID 84574669
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109366315
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 112849306
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365969
4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193343
2-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194954
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone (CID 109367418) is (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(N3c4ccccc4CC3C)nc(C)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is ZNXZDPOZKYJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-4-24-9-11-25(12-10-24)21(27)18-14-20(23-16(3)22-18)26-15(2)13-17-7-5-6-8-19(17)26/h5-8,14-15H,4,9-13H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109367418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).