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

C19H21N7O — CID 118334976

IUPAC4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C19H21N7O/c1-12(2)16-9-14(25-27-16)10-22-18-17-15(23-19(20)24-18)6-8-26(17)11-13-5-3-4-7-21-13/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23,24)
InChIKeyPCQXLNBWIBQSEG-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.18
Rot. Bonds6

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

4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334976) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-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-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334976
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C19H21N7O/c1-12(2)16-9-14(25-27-16)10-22-18-17-15(23-19(20)24-18)6-8-26(17)11-13-5-3-4-7-21-13/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23,24)
InChIKeyPCQXLNBWIBQSEG-UHFFFAOYSA-N
XLogP3.18
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-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 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-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-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334976) is 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-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-(pyridin-2-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-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1.
What is the InChIKey of 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is PCQXLNBWIBQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12(2)16-9-14(25-27-16)10-22-18-17-15(23-19(20)24-18)6-8-26(17)11-13-5-3-4-7-21-13/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23,24).
What are the key properties of 4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 363.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).