N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

C12H20N4OS — CID 114220455

IUPACN-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cc(C)nc(NC)n1
InChIInChI=1S/C12H20N4OS/c1-5-18-7-9(3)14-11(17)10-6-8(2)15-12(13-4)16-10/h6,9H,5,7H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyHDEICLULBRYCKM-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.70
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 114220455) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID114220455
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cc(C)nc(NC)n1
InChIInChI=1S/C12H20N4OS/c1-5-18-7-9(3)14-11(17)10-6-8(2)15-12(13-4)16-10/h6,9H,5,7H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyHDEICLULBRYCKM-UHFFFAOYSA-N
XLogP1.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220456
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
CID 113499345
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (CID 114220455) is N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is CCSCC(C)NC(=O)c1cc(C)nc(NC)n1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is HDEICLULBRYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-18-7-9(3)14-11(17)10-6-8(2)15-12(13-4)16-10/h6,9H,5,7H2,1-4H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).