4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine

C8H14N4O3S — CID 172808365

IUPAC4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
SMILESCNOC.CSc1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C6H7N3O2S.C2H7NO/c1-12-6-8-2-3(5(10)11)4(7)9-6;1-3-4-2/h2H,1H3,(H,10,11)(H2,7,8,9);3H,1-2H3
InChIKeyRVCYHYFDWJSZGD-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.25
Rot. Bonds3

About 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine

4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine (PubChem CID 172808365) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine.

Molecular Properties

Compound Name4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
PubChem CID172808365
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
SMILESCNOC.CSc1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C6H7N3O2S.C2H7NO/c1-12-6-8-2-3(5(10)11)4(7)9-6;1-3-4-2/h2H,1H3,(H,10,11)(H2,7,8,9);3H,1-2H3
InChIKeyRVCYHYFDWJSZGD-UHFFFAOYSA-N
XLogP0.25
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lithium;4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;hydroperoxyethane;hydroxide
CID 161067921
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
2-methylsulfanyl-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 12784085
prop-2-enyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
CID 142786186
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
(5-amino-2-methylsulfanylpyrimidin-4-yl) hydrogen carbonate
CID 57286020
4-(3,5-dimethylphenoxy)-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 28906448
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-methylsulfanyl-4-phenylsulfanylpyrimidine-5-carboxylic acid
CID 100594215
1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methoxyethanone
CID 164933954
CID 89033007
CID 89033007

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine?
The IUPAC name of 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine (CID 172808365) is 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine.
What is the SMILES notation for 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine?
The canonical SMILES for 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine is CNOC.CSc1ncc(C(=O)O)c(N)n1.
What is the InChIKey of 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine?
The InChIKey is RVCYHYFDWJSZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S.C2H7NO/c1-12-6-8-2-3(5(10)11)4(7)9-6;1-3-4-2/h2H,1H3,(H,10,11)(H2,7,8,9);3H,1-2H3.
What are the key properties of 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine?
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine has a molecular weight of 246.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine is sourced from PubChem (CID 172808365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).