2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C20H24N4O2 — CID 109365969

IUPAC2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCCO2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H24N4O2/c1-13-10-15-6-3-4-8-18(15)24(13)19-11-17(22-14(2)23-19)20(25)21-12-16-7-5-9-26-16/h3-4,6,8,11,13,16H,5,7,9-10,12H2,1-2H3,(H,21,25)
InChIKeyQCCAQYHJYPJHSA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109365969) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109365969
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCCO2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H24N4O2/c1-13-10-15-6-3-4-8-18(15)24(13)19-11-17(22-14(2)23-19)20(25)21-12-16-7-5-9-26-16/h3-4,6,8,11,13,16H,5,7,9-10,12H2,1-2H3,(H,21,25)
InChIKeyQCCAQYHJYPJHSA-UHFFFAOYSA-N
XLogP2.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109365969) is 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NCC2CCCO2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QCCAQYHJYPJHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-10-15-6-3-4-8-18(15)24(13)19-11-17(22-14(2)23-19)20(25)21-12-16-7-5-9-26-16/h3-4,6,8,11,13,16H,5,7,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).