[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C14H15ClN4O — CID 104818402

IUPAC[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCOc1cccc(Cl)c1-c1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C14H15ClN4O/c1-20-11-7-3-5-9(15)12(11)14-17-10-6-2-4-8(10)13(18-14)19-16/h3,5,7H,2,4,6,16H2,1H3,(H,17,18,19)
InChIKeyFIKLCOSKQQIRDH-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.58
Rot. Bonds3

About [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 104818402) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID104818402
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCOc1cccc(Cl)c1-c1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C14H15ClN4O/c1-20-11-7-3-5-9(15)12(11)14-17-10-6-2-4-8(10)13(18-14)19-16/h3,5,7H,2,4,6,16H2,1H3,(H,17,18,19)
InChIKeyFIKLCOSKQQIRDH-UHFFFAOYSA-N
XLogP2.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82805386
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
2-chloro-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460701
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 104818402) is [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is COc1cccc(Cl)c1-c1nc2c(c(NN)n1)CCC2.
What is the InChIKey of [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is FIKLCOSKQQIRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-20-11-7-3-5-9(15)12(11)14-17-10-6-2-4-8(10)13(18-14)19-16/h3,5,7H,2,4,6,16H2,1H3,(H,17,18,19).
What are the key properties of [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 290.75 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 104818402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).