4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine

C13H14N4 — CID 83870463

IUPAC4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine
SMILESNc1nc2c(c(-c3ccccc3)n1)C(N)CC2
InChIInChI=1S/C13H14N4/c14-9-6-7-10-11(9)12(17-13(15)16-10)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17)
InChIKeyIFKQCBWGYZFSCZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.67
Rot. Bonds1

About 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine

4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine (PubChem CID 83870463) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine
PubChem CID83870463
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine
SMILESNc1nc2c(c(-c3ccccc3)n1)C(N)CC2
InChIInChI=1S/C13H14N4/c14-9-6-7-10-11(9)12(17-13(15)16-10)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17)
InChIKeyIFKQCBWGYZFSCZ-UHFFFAOYSA-N
XLogP1.67
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine?
The IUPAC name of 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine (CID 83870463) is 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine.
What is the SMILES notation for 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine?
The canonical SMILES for 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine is Nc1nc2c(c(-c3ccccc3)n1)C(N)CC2.
What is the InChIKey of 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine?
The InChIKey is IFKQCBWGYZFSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-9-6-7-10-11(9)12(17-13(15)16-10)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H2,15,16,17).
What are the key properties of 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine?
4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine has a molecular weight of 226.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,5-diamine is sourced from PubChem (CID 83870463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).