4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine

C17H23N7 — CID 56742230

IUPAC4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C17H23N7/c1-10(2)5-14-19-7-11-8-24(9-13(11)21-14)16-6-15(20-12-3-4-12)22-17(18)23-16/h6-7,10,12H,3-5,8-9H2,1-2H3,(H3,18,20,22,23)
InChIKeyWFYBIMHHENWAPB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.14
Rot. Bonds5

About 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine (PubChem CID 56742230) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
PubChem CID56742230
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C17H23N7/c1-10(2)5-14-19-7-11-8-24(9-13(11)21-14)16-6-15(20-12-3-4-12)22-17(18)23-16/h6-7,10,12H,3-5,8-9H2,1-2H3,(H3,18,20,22,23)
InChIKeyWFYBIMHHENWAPB-UHFFFAOYSA-N
XLogP2.14
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]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-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine (CID 56742230) is 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine is CC(C)Cc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2.
What is the InChIKey of 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The InChIKey is WFYBIMHHENWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-10(2)5-14-19-7-11-8-24(9-13(11)21-14)16-6-15(20-12-3-4-12)22-17(18)23-16/h6-7,10,12H,3-5,8-9H2,1-2H3,(H3,18,20,22,23).
What are the key properties of 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56742230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).