5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H20N4O3S — CID 79864352

IUPAC5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O3S/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-20(4,18)19/h7-8H,5-6,13H2,1-4H3
InChIKeyMJZOVAFTUQZVQQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.30
Rot. Bonds5

About 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 79864352) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID79864352
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O3S/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-20(4,18)19/h7-8H,5-6,13H2,1-4H3
InChIKeyMJZOVAFTUQZVQQ-UHFFFAOYSA-N
XLogP0.30
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
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5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 81074196
5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 63275010
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 62156181
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107486025
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-amino-N-methyl-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 106937249
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160184

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 79864352) is 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MJZOVAFTUQZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-20(4,18)19/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 79864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).