2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide

C9H14N4OS — CID 63696076

IUPAC2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
SMILESCNC(CCSc1ccncn1)C(N)=O
InChIInChI=1S/C9H14N4OS/c1-11-7(9(10)14)3-5-15-8-2-4-12-6-13-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,14)
InChIKeyFUCSGVWOJMTPHQ-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.03
Rot. Bonds6

About 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide

2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide (PubChem CID 63696076) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
PubChem CID63696076
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
SMILESCNC(CCSc1ccncn1)C(N)=O
InChIInChI=1S/C9H14N4OS/c1-11-7(9(10)14)3-5-15-8-2-4-12-6-13-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,14)
InChIKeyFUCSGVWOJMTPHQ-UHFFFAOYSA-N
XLogP0.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
CID 63034714
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
CID 63035550
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
CID 63696968
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
2-amino-3-pyrimidin-4-ylsulfanylpropanamide
CID 63695895
2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide
CID 63035751
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
ethyl 3-pyrimidin-4-ylsulfanylpropanoate
CID 63697970
2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697844
2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
CID 63033420
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide?
The IUPAC name of 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide (CID 63696076) is 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide.
What is the SMILES notation for 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide?
The canonical SMILES for 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide is CNC(CCSc1ccncn1)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide?
The InChIKey is FUCSGVWOJMTPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-11-7(9(10)14)3-5-15-8-2-4-12-6-13-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,14).
What are the key properties of 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide?
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide has a molecular weight of 226.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide is sourced from PubChem (CID 63696076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).