4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid

C10H15N3O2S — CID 116647424

IUPAC4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CSC(C)C)nc(N)c1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-5(2)16-4-7-12-6(3)8(10(14)15)9(11)13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13)
InChIKeyVSZWLUMUDLQYDD-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.71
Rot. Bonds4

About 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid

4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 116647424) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid
PubChem CID116647424
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CSC(C)C)nc(N)c1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-5(2)16-4-7-12-6(3)8(10(14)15)9(11)13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13)
InChIKeyVSZWLUMUDLQYDD-UHFFFAOYSA-N
XLogP1.71
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid (CID 116647424) is 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid is Cc1nc(CSC(C)C)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is VSZWLUMUDLQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5(2)16-4-7-12-6(3)8(10(14)15)9(11)13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13).
What are the key properties of 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid?
4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).