4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C16H17N7OS — CID 118335028

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4csc(C)n4)c23)no1
InChIInChI=1S/C16H17N7OS/c1-9-5-11(22-24-9)6-18-15-14-13(20-16(17)21-15)3-4-23(14)7-12-8-25-10(2)19-12/h3-5,8H,6-7H2,1-2H3,(H3,17,18,20,21)
InChIKeyXDWILICLTPGHIQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.74
Rot. Bonds5

About 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118335028) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118335028
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4csc(C)n4)c23)no1
InChIInChI=1S/C16H17N7OS/c1-9-5-11(22-24-9)6-18-15-14-13(20-16(17)21-15)3-4-23(14)7-12-8-25-10(2)19-12/h3-5,8H,6-7H2,1-2H3,(H3,17,18,20,21)
InChIKeyXDWILICLTPGHIQ-UHFFFAOYSA-N
XLogP2.74
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118335028) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)nc3ccn(Cc4csc(C)n4)c23)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is XDWILICLTPGHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-9-5-11(22-24-9)6-18-15-14-13(20-16(17)21-15)3-4-23(14)7-12-8-25-10(2)19-12/h3-5,8H,6-7H2,1-2H3,(H3,17,18,20,21).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 355.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118335028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).