2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide

C12H20N4OS — CID 62268407

IUPAC2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCc1ccnc(SCC(C)(NC(C)C)C(N)=O)n1
InChIInChI=1S/C12H20N4OS/c1-8(2)16-12(4,10(13)17)7-18-11-14-6-5-9(3)15-11/h5-6,8,16H,7H2,1-4H3,(H2,13,17)
InChIKeyCVXYTMDYIWVJGN-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.12
Rot. Bonds6

About 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide

2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 62268407) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID62268407
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCc1ccnc(SCC(C)(NC(C)C)C(N)=O)n1
InChIInChI=1S/C12H20N4OS/c1-8(2)16-12(4,10(13)17)7-18-11-14-6-5-9(3)15-11/h5-6,8,16H,7H2,1-4H3,(H2,13,17)
InChIKeyCVXYTMDYIWVJGN-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide (CID 62268407) is 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide is Cc1ccnc(SCC(C)(NC(C)C)C(N)=O)n1.
What is the InChIKey of 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is CVXYTMDYIWVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)16-12(4,10(13)17)7-18-11-14-6-5-9(3)15-11/h5-6,8,16H,7H2,1-4H3,(H2,13,17).
What are the key properties of 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 268.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62268407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).