N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

C27H28N8 — CID 166186696

IUPACN,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESc1cc(-c2nc3c(c(NCCCNc4nc(-c5ccncc5)nc5c4CCC5)n2)CCC3)ccn1
InChIInChI=1S/C27H28N8/c1-4-20-22(6-1)32-24(18-8-14-28-15-9-18)34-26(20)30-12-3-13-31-27-21-5-2-7-23(21)33-25(35-27)19-10-16-29-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,30,32,34)(H,31,33,35)
InChIKeyZAGYMTOJQNYWLD-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.28
Rot. Bonds8

About N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 166186696) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID166186696
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC NameN,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESc1cc(-c2nc3c(c(NCCCNc4nc(-c5ccncc5)nc5c4CCC5)n2)CCC3)ccn1
InChIInChI=1S/C27H28N8/c1-4-20-22(6-1)32-24(18-8-14-28-15-9-18)34-26(20)30-12-3-13-31-27-21-5-2-7-23(21)33-25(35-27)19-10-16-29-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,30,32,34)(H,31,33,35)
InChIKeyZAGYMTOJQNYWLD-UHFFFAOYSA-N
XLogP4.28
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133347418
N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95111490
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133390262
1-cyclopentyl-2-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 133306823
2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449
N,N-dimethyl-5-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
CID 133487716
N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192826
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225639
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (CID 166186696) is N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is c1cc(-c2nc3c(c(NCCCNc4nc(-c5ccncc5)nc5c4CCC5)n2)CCC3)ccn1.
What is the InChIKey of N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is ZAGYMTOJQNYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-4-20-22(6-1)32-24(18-8-14-28-15-9-18)34-26(20)30-12-3-13-31-27-21-5-2-7-23(21)33-25(35-27)19-10-16-29-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,30,32,34)(H,31,33,35).
What are the key properties of N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 464.58 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 166186696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).