N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine

C18H24N6 — CID 56885388

IUPACN'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESc1cncc(NCCNc2nc(C3CCCC3)nc3c2CNC3)c1
InChIInChI=1S/C18H24N6/c1-2-5-13(4-1)17-23-16-12-20-11-15(16)18(24-17)22-9-8-21-14-6-3-7-19-10-14/h3,6-7,10,13,20-21H,1-2,4-5,8-9,11-12H2,(H,22,23,24)
InChIKeyDDUXGHWTOWXPDR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.66
Rot. Bonds6

About N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine

N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine (PubChem CID 56885388) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
PubChem CID56885388
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESc1cncc(NCCNc2nc(C3CCCC3)nc3c2CNC3)c1
InChIInChI=1S/C18H24N6/c1-2-5-13(4-1)17-23-16-12-20-11-15(16)18(24-17)22-9-8-21-14-6-3-7-19-10-14/h3,6-7,10,13,20-21H,1-2,4-5,8-9,11-12H2,(H,22,23,24)
InChIKeyDDUXGHWTOWXPDR-UHFFFAOYSA-N
XLogP2.66
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56886243
2-cyclopentyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95725118
N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 56754375
2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56883272
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56913128
N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
2-methyl-N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145315
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine (CID 56885388) is N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine is c1cncc(NCCNc2nc(C3CCCC3)nc3c2CNC3)c1.
What is the InChIKey of N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The InChIKey is DDUXGHWTOWXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-5-13(4-1)17-23-16-12-20-11-15(16)18(24-17)22-9-8-21-14-6-3-7-19-10-14/h3,6-7,10,13,20-21H,1-2,4-5,8-9,11-12H2,(H,22,23,24).
What are the key properties of N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine has a molecular weight of 324.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 56885388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).