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

C12H11N5OS2 — CID 17437492

IUPAC2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2coc(-c3cccs3)n2)n1
InChIInChI=1S/C12H11N5OS2/c13-9-4-10(14)17-12(16-9)20-6-7-5-18-11(15-7)8-2-1-3-19-8/h1-5H,6H2,(H4,13,14,16,17)
InChIKeyWRRBAMWWPPVRMO-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.65
Rot. Bonds4

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

2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 17437492) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID17437492
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2coc(-c3cccs3)n2)n1
InChIInChI=1S/C12H11N5OS2/c13-9-4-10(14)17-12(16-9)20-6-7-5-18-11(15-7)8-2-1-3-19-8/h1-5H,6H2,(H4,13,14,16,17)
InChIKeyWRRBAMWWPPVRMO-UHFFFAOYSA-N
XLogP2.65
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(2-thiophen-2-yl-1,3-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

Related Compounds

4-bromo-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79533714
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
CID 66230325
2-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7816237
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 24670825
4-propyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135763428
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 7896504
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8674330

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 17437492) is 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2coc(-c3cccs3)n2)n1.
What is the InChIKey of 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is WRRBAMWWPPVRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c13-9-4-10(14)17-12(16-9)20-6-7-5-18-11(15-7)8-2-1-3-19-8/h1-5H,6H2,(H4,13,14,16,17).
What are the key properties of 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 305.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 17437492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).