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

C14H13N5OS — CID 8806555

IUPAC2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H13N5OS/c15-11-6-12(16)19-14(18-11)21-8-13-17-7-10(20-13)9-4-2-1-3-5-9/h1-7H,8H2,(H4,15,16,18,19)
InChIKeyAJHSTKPCGGIXPH-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.59
Rot. Bonds4

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

2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 8806555) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID8806555
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H13N5OS/c15-11-6-12(16)19-14(18-11)21-8-13-17-7-10(20-13)9-4-2-1-3-5-9/h1-7H,8H2,(H4,15,16,18,19)
InChIKeyAJHSTKPCGGIXPH-UHFFFAOYSA-N
XLogP2.59
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 8806555) is 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2ncc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is AJHSTKPCGGIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-11-6-12(16)19-14(18-11)21-8-13-17-7-10(20-13)9-4-2-1-3-5-9/h1-7H,8H2,(H4,15,16,18,19).
What are the key properties of 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 299.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 8806555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).