N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide

C8H12N4OS — CID 21059251

IUPACN-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide
SMILESCSc1nc(C)c(N(C)C=O)c(N)n1
InChIInChI=1S/C8H12N4OS/c1-5-6(12(2)4-13)7(9)11-8(10-5)14-3/h4H,1-3H3,(H2,9,10,11)
InChIKeyHAFNIKBILSSJOG-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.68
Rot. Bonds3

About N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide

N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide (PubChem CID 21059251) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide
PubChem CID21059251
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide
SMILESCSc1nc(C)c(N(C)C=O)c(N)n1
InChIInChI=1S/C8H12N4OS/c1-5-6(12(2)4-13)7(9)11-8(10-5)14-3/h4H,1-3H3,(H2,9,10,11)
InChIKeyHAFNIKBILSSJOG-UHFFFAOYSA-N
XLogP0.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide?
The IUPAC name of N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide (CID 21059251) is N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide.
What is the SMILES notation for N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide?
The canonical SMILES for N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide is CSc1nc(C)c(N(C)C=O)c(N)n1.
What is the InChIKey of N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide?
The InChIKey is HAFNIKBILSSJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-6(12(2)4-13)7(9)11-8(10-5)14-3/h4H,1-3H3,(H2,9,10,11).
What are the key properties of N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide?
N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide has a molecular weight of 212.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide is sourced from PubChem (CID 21059251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).