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

C17H19N7OS — CID 118334959

IUPAC4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)nc3ccn(Cc4cscn4)c23)no1
InChIInChI=1S/C17H19N7OS/c1-10(2)14-5-11(23-25-14)6-19-16-15-13(21-17(18)22-16)3-4-24(15)7-12-8-26-9-20-12/h3-5,8-10H,6-7H2,1-2H3,(H3,18,19,21,22)
InChIKeyGWDOSCJNZDKREQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.24
Rot. Bonds6

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

4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334959) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334959
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)nc3ccn(Cc4cscn4)c23)no1
InChIInChI=1S/C17H19N7OS/c1-10(2)14-5-11(23-25-14)6-19-16-15-13(21-17(18)22-16)3-4-24(15)7-12-8-26-9-20-12/h3-5,8-10H,6-7H2,1-2H3,(H3,18,19,21,22)
InChIKeyGWDOSCJNZDKREQ-UHFFFAOYSA-N
XLogP3.24
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)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-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334959) is 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(N)nc3ccn(Cc4cscn4)c23)no1.
What is the InChIKey of 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is GWDOSCJNZDKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10(2)14-5-11(23-25-14)6-19-16-15-13(21-17(18)22-16)3-4-24(15)7-12-8-26-9-20-12/h3-5,8-10H,6-7H2,1-2H3,(H3,18,19,21,22).
What are the key properties of 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 369.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).