[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine

C16H18N6O — CID 90166372

IUPAC[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCOc1nc(NN)cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)n1
InChIInChI=1S/C16H18N6O/c1-22-13-6-4-3-5-11(13)18-15(22)10-7-9(10)12-8-14(21-17)20-16(19-12)23-2/h3-6,8-10H,7,17H2,1-2H3,(H,19,20,21)/t9-,10-/m1/s1
InChIKeyKROPHANKCNVKSH-NXEZZACHSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds4

About [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine

[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (PubChem CID 90166372) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
PubChem CID90166372
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCOc1nc(NN)cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)n1
InChIInChI=1S/C16H18N6O/c1-22-13-6-4-3-5-11(13)18-15(22)10-7-9(10)12-8-14(21-17)20-16(19-12)23-2/h3-6,8-10H,7,17H2,1-2H3,(H,19,20,21)/t9-,10-/m1/s1
InChIKeyKROPHANKCNVKSH-NXEZZACHSA-N
XLogP1.93
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (CID 90166372) is [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is COc1nc(NN)cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)n1.
What is the InChIKey of [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The InChIKey is KROPHANKCNVKSH-NXEZZACHSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22-13-6-4-3-5-11(13)18-15(22)10-7-9(10)12-8-14(21-17)20-16(19-12)23-2/h3-6,8-10H,7,17H2,1-2H3,(H,19,20,21)/t9-,10-/m1/s1.
What are the key properties of [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine has a molecular weight of 310.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 90166372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).