2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide

C11H18N4OS — CID 65043472

IUPAC2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide
SMILESCc1nc(SCCC(N)C(N)=O)nc(C)c1C
InChIInChI=1S/C11H18N4OS/c1-6-7(2)14-11(15-8(6)3)17-5-4-9(12)10(13)16/h9H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyVUDGMPDXJRQFQZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.70
Rot. Bonds5

About 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide

2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide (PubChem CID 65043472) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound Name2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide
PubChem CID65043472
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide
SMILESCc1nc(SCCC(N)C(N)=O)nc(C)c1C
InChIInChI=1S/C11H18N4OS/c1-6-7(2)14-11(15-8(6)3)17-5-4-9(12)10(13)16/h9H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyVUDGMPDXJRQFQZ-UHFFFAOYSA-N
XLogP0.70
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide (CID 65043472) is 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide is Cc1nc(SCCC(N)C(N)=O)nc(C)c1C.
What is the InChIKey of 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is VUDGMPDXJRQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6-7(2)14-11(15-8(6)3)17-5-4-9(12)10(13)16/h9H,4-5,12H2,1-3H3,(H2,13,16).
What are the key properties of 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide?
2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 254.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 65043472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).