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

C16H18N6O — CID 118423207

IUPAC[2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCOc1nc(NN)cc(C2C[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-QVDQXJPCSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds4

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

[2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (PubChem CID 118423207) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
PubChem CID118423207
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCOc1nc(NN)cc(C2C[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-QVDQXJPCSA-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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Related Compounds

[2-methoxy-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
CID 90166372
[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
CID 90166375
2-[(1S)-2-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methyl-2-pyridinyl]cyclopropyl]-1-methylbenzimidazole
CID 90381651
2-[2-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 78107391
2-[(1R,2R)-2-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71548049
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-[(2S)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-2-amine
CID 90381629
5-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-amine
CID 171490605
2-cyclopropyl-1-methylbenzimidazole;(2-cyclopropylpyrimidin-4-yl)hydrazine
CID 144628437
2-[(1S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381595
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71547705
2-[5-methyl-2-[2-methyl-6-[(1R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]propan-2-ol
CID 118423612
(1S)-1-[5-methyl-2-[2-methyl-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethanol
CID 118423208

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (CID 118423207) is [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is COc1nc(NN)cc(C2C[C@H]2c2nc3ccccc3n2C)n1.
What is the InChIKey of [2-methoxy-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The InChIKey is KROPHANKCNVKSH-QVDQXJPCSA-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-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
[2-methoxy-6-[(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-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 118423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).