[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C16H20N4 — CID 62596851

IUPAC[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)cc(Cc2nc3c(c(NN)n2)CCC3)c1
InChIInChI=1S/C16H20N4/c1-10-6-11(2)8-12(7-10)9-15-18-14-5-3-4-13(14)16(19-15)20-17/h6-8H,3-5,9,17H2,1-2H3,(H,18,19,20)
InChIKeyKSHDHVKATNWBBB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.46
Rot. Bonds3

About [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 62596851) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID62596851
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)cc(Cc2nc3c(c(NN)n2)CCC3)c1
InChIInChI=1S/C16H20N4/c1-10-6-11(2)8-12(7-10)9-15-18-14-5-3-4-13(14)16(19-15)20-17/h6-8H,3-5,9,17H2,1-2H3,(H,18,19,20)
InChIKeyKSHDHVKATNWBBB-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 62596851) is [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is Cc1cc(C)cc(Cc2nc3c(c(NN)n2)CCC3)c1.
What is the InChIKey of [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is KSHDHVKATNWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-6-11(2)8-12(7-10)9-15-18-14-5-3-4-13(14)16(19-15)20-17/h6-8H,3-5,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 268.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62596851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).