N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H15N3 — CID 53192871

IUPACN-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2CCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-5-11(6-3-1)9-15-14-12-7-4-8-13(12)16-10-17-14/h1-3,5-6,10H,4,7-9H2,(H,15,16,17)
InChIKeyYUGWCCMKBWATQT-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.58
Rot. Bonds3

About N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192871) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192871
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2CCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-5-11(6-3-1)9-15-14-12-7-4-8-13(12)16-10-17-14/h1-3,5-6,10H,4,7-9H2,(H,15,16,17)
InChIKeyYUGWCCMKBWATQT-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192871) is N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(CNc2ncnc3c2CCC3)cc1.
What is the InChIKey of N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YUGWCCMKBWATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-5-11(6-3-1)9-15-14-12-7-4-8-13(12)16-10-17-14/h1-3,5-6,10H,4,7-9H2,(H,15,16,17).
What are the key properties of N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 225.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).