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

C13H14N4 — CID 134116460

IUPAC4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)CCC2
InChIInChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17)
InChIKeyCNPJNNGRCDYYKK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.29
Rot. Bonds2

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

4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 134116460) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID134116460
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)CCC2
InChIInChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17)
InChIKeyCNPJNNGRCDYYKK-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 134116460) is 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccccc3)n1)CCC2.
What is the InChIKey of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is CNPJNNGRCDYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17).
What are the key properties of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 134116460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).