N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H19N5 — CID 146137881

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1nccn1CCNc1ncnc2c1CCC2
InChIInChI=1S/C14H19N5/c1-2-13-15-6-8-19(13)9-7-16-14-11-4-3-5-12(11)17-10-18-14/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,18)
InChIKeyJDSSNWWMXGRWBO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 146137881) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID146137881
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1nccn1CCNc1ncnc2c1CCC2
InChIInChI=1S/C14H19N5/c1-2-13-15-6-8-19(13)9-7-16-14-11-4-3-5-12(11)17-10-18-14/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,18)
InChIKeyJDSSNWWMXGRWBO-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 146137881) is N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCc1nccn1CCNc1ncnc2c1CCC2.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JDSSNWWMXGRWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-13-15-6-8-19(13)9-7-16-14-11-4-3-5-12(11)17-10-18-14/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 146137881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).