4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine

C18H25N7 — CID 56742568

IUPAC4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(N3CCCC3)nc(N)n1)C2
InChIInChI=1S/C18H25N7/c1-12(2)7-15-20-9-13-10-25(11-14(13)21-15)17-8-16(22-18(19)23-17)24-5-3-4-6-24/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,22,23)
InChIKeyNKXHDEPKAJPHMC-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.17
Rot. Bonds4

About 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine

4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 56742568) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID56742568
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(N3CCCC3)nc(N)n1)C2
InChIInChI=1S/C18H25N7/c1-12(2)7-15-20-9-13-10-25(11-14(13)21-15)17-8-16(22-18(19)23-17)24-5-3-4-6-24/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,22,23)
InChIKeyNKXHDEPKAJPHMC-UHFFFAOYSA-N
XLogP2.17
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine 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-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 56742568) is 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is CC(C)Cc1ncc2c(n1)CN(c1cc(N3CCCC3)nc(N)n1)C2.
What is the InChIKey of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is NKXHDEPKAJPHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-12(2)7-15-20-9-13-10-25(11-14(13)21-15)17-8-16(22-18(19)23-17)24-5-3-4-6-24/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 56742568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).