4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C16H25N5 — CID 114739614

IUPAC4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCCN(C)C(c2nc3c(c(C4CC4)n2)CNC3)C1
InChIInChI=1S/C16H25N5/c1-20-6-3-7-21(2)14(10-20)16-18-13-9-17-8-12(13)15(19-16)11-4-5-11/h11,14,17H,3-10H2,1-2H3
InChIKeyXWPRRPFAINJXSO-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.27
Rot. Bonds2

About 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739614) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739614
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCCN(C)C(c2nc3c(c(C4CC4)n2)CNC3)C1
InChIInChI=1S/C16H25N5/c1-20-6-3-7-21(2)14(10-20)16-18-13-9-17-8-12(13)15(19-16)11-4-5-11/h11,14,17H,3-10H2,1-2H3
InChIKeyXWPRRPFAINJXSO-UHFFFAOYSA-N
XLogP1.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
2-(4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)-4-ethylmorpholine
CID 114739733
2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742523
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115042933
2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137015060
6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79666719
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739672
N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 155901618
5-bromo-3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-thiadiazole
CID 102617944
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739614) is 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CN1CCCN(C)C(c2nc3c(c(C4CC4)n2)CNC3)C1.
What is the InChIKey of 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is XWPRRPFAINJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-20-6-3-7-21(2)14(10-20)16-18-13-9-17-8-12(13)15(19-16)11-4-5-11/h11,14,17H,3-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 287.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).