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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Related Compounds

4-amino-6-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647398
4-amino-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647312
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 103151376
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
4,6-dimethyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 65129168
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
ethyl 4-amino-6-methyl-2-(phenylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647714
4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 116647394
methyl 4-amino-2-[(4-bromophenyl)sulfanylmethyl]-6-methylpyrimidine-5-carboxylate
CID 116647596
6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305036
N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65134003

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).