N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C18H22N4O2S — CID 112862147

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1cc(N(C)C2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C18H22N4O2S/c1-13-9-14-5-3-4-6-16(14)22(13)18-10-17(19-12-20-18)21(2)15-7-8-25(23,24)11-15/h3-6,10,12-13,15H,7-9,11H2,1-2H3
InChIKeySBLPPZUWQPRZRW-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.18
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112862147) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112862147
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1cc(N(C)C2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C18H22N4O2S/c1-13-9-14-5-3-4-6-16(14)22(13)18-10-17(19-12-20-18)21(2)15-7-8-25(23,24)11-15/h3-6,10,12-13,15H,7-9,11H2,1-2H3
InChIKeySBLPPZUWQPRZRW-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109122979
N-(1,1-dioxothiolan-3-yl)-6-(4-ethylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 112858053
[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]hydrazine
CID 80916971
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 124730939
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112865154
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-ethoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112862118
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112894202
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108950192
6-N-(4-tert-butylphenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-4,6-diamine
CID 112862100
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112862147) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is CC1Cc2ccccc2N1c1cc(N(C)C2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is SBLPPZUWQPRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-9-14-5-3-4-6-16(14)22(13)18-10-17(19-12-20-18)21(2)15-7-8-25(23,24)11-15/h3-6,10,12-13,15H,7-9,11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).