2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide

C8H12N4OS — CID 62269830

IUPAC2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SCC(N)C(N)=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-2-3-11-8(12-5)14-4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeyYKESAOKCPFZBPN-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.31
Rot. Bonds4

About 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide

2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 62269830) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID62269830
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SCC(N)C(N)=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-2-3-11-8(12-5)14-4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeyYKESAOKCPFZBPN-UHFFFAOYSA-N
XLogP-0.31
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide (CID 62269830) is 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide is Cc1ccnc(SCC(N)C(N)=O)n1.
What is the InChIKey of 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is YKESAOKCPFZBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-2-3-11-8(12-5)14-4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13).
What are the key properties of 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 212.28 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 62269830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).