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

C19H19N7O — CID 118334975

IUPAC4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C19H19N7O/c20-19-23-15-6-8-26(11-13-3-1-2-7-21-13)17(15)18(24-19)22-10-14-9-16(27-25-14)12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H3,20,22,23,24)
InChIKeyOJZYXAZTEYEIAX-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.93
Rot. Bonds6

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

4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334975) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334975
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C19H19N7O/c20-19-23-15-6-8-26(11-13-3-1-2-7-21-13)17(15)18(24-19)22-10-14-9-16(27-25-14)12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H3,20,22,23,24)
InChIKeyOJZYXAZTEYEIAX-UHFFFAOYSA-N
XLogP2.93
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334975) is 4-N-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Nc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1.
What is the InChIKey of 4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is OJZYXAZTEYEIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-23-15-6-8-26(11-13-3-1-2-7-21-13)17(15)18(24-19)22-10-14-9-16(27-25-14)12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H3,20,22,23,24).
What are the key properties of 4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 361.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).