5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline

C14H15N3O2 — CID 103201955

IUPAC5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
SMILESCOc1ccc(Oc2ncnc3c2CCC3)cc1N
InChIInChI=1S/C14H15N3O2/c1-18-13-6-5-9(7-11(13)15)19-14-10-3-2-4-12(10)16-8-17-14/h5-8H,2-4,15H2,1H3
InChIKeyYMQKBOHJXAFYDA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

About 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline

5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline (PubChem CID 103201955) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline.

Molecular Properties

Compound Name5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
PubChem CID103201955
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
SMILESCOc1ccc(Oc2ncnc3c2CCC3)cc1N
InChIInChI=1S/C14H15N3O2/c1-18-13-6-5-9(7-11(13)15)19-14-10-3-2-4-12(10)16-8-17-14/h5-8H,2-4,15H2,1H3
InChIKeyYMQKBOHJXAFYDA-UHFFFAOYSA-N
XLogP2.35
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 81333719
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
CID 62831524
4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62833852
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
[2-chloro-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 102724735
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid
CID 55121412
4-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 86726683

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline?
The IUPAC name of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline (CID 103201955) is 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline.
What is the SMILES notation for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline?
The canonical SMILES for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline is COc1ccc(Oc2ncnc3c2CCC3)cc1N.
What is the InChIKey of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline?
The InChIKey is YMQKBOHJXAFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-13-6-5-9(7-11(13)15)19-14-10-3-2-4-12(10)16-8-17-14/h5-8H,2-4,15H2,1H3.
What are the key properties of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline?
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline is sourced from PubChem (CID 103201955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).