2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide

C15H18N4OS — CID 43028754

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
SMILESCc1cc(N)nc(SC(C)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-10-9-13(16)18-15(17-10)21-11(2)14(20)19(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H2,16,17,18)
InChIKeyNXGOIGBDKKBIMC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide (PubChem CID 43028754) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
PubChem CID43028754
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
SMILESCc1cc(N)nc(SC(C)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-10-9-13(16)18-15(17-10)21-11(2)14(20)19(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H2,16,17,18)
InChIKeyNXGOIGBDKKBIMC-UHFFFAOYSA-N
XLogP2.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 3450207
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
N-methyl-N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18134411
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083
2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 87033416
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 4814927
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 2637961
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 38968288
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
CID 30834816
(2S)-N-methyl-N-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7857176
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 43028761

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide (CID 43028754) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide is Cc1cc(N)nc(SC(C)C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The InChIKey is NXGOIGBDKKBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-9-13(16)18-15(17-10)21-11(2)14(20)19(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 43028754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).