2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C19H26N6 — CID 56883835

IUPAC2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C19H26N6/c1-25(11-17-13-7-4-8-15(13)23-24-17)19-14-9-20-10-16(14)21-18(22-19)12-5-2-3-6-12/h12,20H,2-11H2,1H3,(H,23,24)
InChIKeyZXMXIGYMCYHMJL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56883835) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56883835
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C19H26N6/c1-25(11-17-13-7-4-8-15(13)23-24-17)19-14-9-20-10-16(14)21-18(22-19)12-5-2-3-6-12/h12,20H,2-11H2,1H3,(H,23,24)
InChIKeyZXMXIGYMCYHMJL-UHFFFAOYSA-N
XLogP2.59
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56883835) is 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CN(Cc1n[nH]c2c1CCC2)c1nc(C2CCCC2)nc2c1CNC2.
What is the InChIKey of 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZXMXIGYMCYHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-25(11-17-13-7-4-8-15(13)23-24-17)19-14-9-20-10-16(14)21-18(22-19)12-5-2-3-6-12/h12,20H,2-11H2,1H3,(H,23,24).
What are the key properties of 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56883835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).