2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine

C15H17N3O — CID 82482276

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ncc3c(n2)CCC3)cc1
InChIInChI=1S/C15H17N3O/c16-8-9-19-13-6-4-11(5-7-13)15-17-10-12-2-1-3-14(12)18-15/h4-7,10H,1-3,8-9,16H2
InChIKeyGSKINMXAERSABT-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine (PubChem CID 82482276) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine
PubChem CID82482276
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ncc3c(n2)CCC3)cc1
InChIInChI=1S/C15H17N3O/c16-8-9-19-13-6-4-11(5-7-13)15-17-10-12-2-1-3-14(12)18-15/h4-7,10H,1-3,8-9,16H2
InChIKeyGSKINMXAERSABT-UHFFFAOYSA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine
CID 82487974
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423982
2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 82489137
[2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62495287
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009261
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177049801
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine (CID 82482276) is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine is NCCOc1ccc(-c2ncc3c(n2)CCC3)cc1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine?
The InChIKey is GSKINMXAERSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-8-9-19-13-6-4-11(5-7-13)15-17-10-12-2-1-3-14(12)18-15/h4-7,10H,1-3,8-9,16H2.
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine?
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 82482276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).