2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C21H26N4O2 — CID 70727206

IUPAC2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCN(C)C(=O)c1cnc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C21H26N4O2/c1-14-12-15-8-6-7-9-17(15)25(14)11-10-24(5)19(27)16-13-22-20(21(2,3)4)23-18(16)26/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,26)
InChIKeyDEVJLUIKOIDKAU-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.10
Rot. Bonds4

About 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70727206) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70727206
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCN(C)C(=O)c1cnc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C21H26N4O2/c1-14-12-15-8-6-7-9-17(15)25(14)11-10-24(5)19(27)16-13-22-20(21(2,3)4)23-18(16)26/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,26)
InChIKeyDEVJLUIKOIDKAU-UHFFFAOYSA-N
XLogP3.10
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70727206) is 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc2ccccc2n1CCN(C)C(=O)c1cnc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DEVJLUIKOIDKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-12-15-8-6-7-9-17(15)25(14)11-10-24(5)19(27)16-13-22-20(21(2,3)4)23-18(16)26/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,26).
What are the key properties of 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70727206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).