2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine

C10H13N5OS — CID 7570115

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1noc(C)c1CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H13N5OS/c1-5-7(6(2)16-15-5)4-17-10-13-8(11)3-9(12)14-10/h3H,4H2,1-2H3,(H4,11,12,13,14)
InChIKeyPIKVFWNVLSKDON-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.54
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 7570115) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID7570115
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1noc(C)c1CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H13N5OS/c1-5-7(6(2)16-15-5)4-17-10-13-8(11)3-9(12)14-10/h3H,4H2,1-2H3,(H4,11,12,13,14)
InChIKeyPIKVFWNVLSKDON-UHFFFAOYSA-N
XLogP1.54
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 7570115) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine is Cc1noc(C)c1CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is PIKVFWNVLSKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-5-7(6(2)16-15-5)4-17-10-13-8(11)3-9(12)14-10/h3H,4H2,1-2H3,(H4,11,12,13,14).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 7570115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).