N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine

C13H11N3 — CID 58094726

IUPACN-phenyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC1=Cc2ncnc(Nc3ccccc3)c2C1
InChIInChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-13-11-7-4-8-12(11)14-9-15-13/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyZXHOOQBOJVOIOS-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.79
Rot. Bonds2

About N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine

N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58094726) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58094726
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC NameN-phenyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC1=Cc2ncnc(Nc3ccccc3)c2C1
InChIInChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-13-11-7-4-8-12(11)14-9-15-13/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyZXHOOQBOJVOIOS-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine (CID 58094726) is N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine is C1=Cc2ncnc(Nc3ccccc3)c2C1.
What is the InChIKey of N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZXHOOQBOJVOIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-13-11-7-4-8-12(11)14-9-15-13/h1-6,8-9H,7H2,(H,14,15,16).
What are the key properties of N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine?
N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 209.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).