[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C13H22N4O — CID 116730268

IUPAC[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc2c(c(NN)n1)CCC2)C(C)C
InChIInChI=1S/C13H22N4O/c1-4-18-11(8(2)3)13-15-10-7-5-6-9(10)12(16-13)17-14/h8,11H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyKYARJDIGMIPTCO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.98
Rot. Bonds5

About [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 116730268) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID116730268
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc2c(c(NN)n1)CCC2)C(C)C
InChIInChI=1S/C13H22N4O/c1-4-18-11(8(2)3)13-15-10-7-5-6-9(10)12(16-13)17-14/h8,11H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyKYARJDIGMIPTCO-UHFFFAOYSA-N
XLogP1.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.98
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-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525
2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114270687
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116730245
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
N-methyl-2-pentan-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62313616
2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79617455

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 116730268) is [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is CCOC(c1nc2c(c(NN)n1)CCC2)C(C)C.
What is the InChIKey of [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is KYARJDIGMIPTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-18-11(8(2)3)13-15-10-7-5-6-9(10)12(16-13)17-14/h8,11H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116730268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).