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

C18H20N6 — CID 90166375

IUPAC[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCn1c([C@@H]2C[C@H]2c2cc(NN)nc(C3CC3)n2)nc2ccccc21
InChIInChI=1S/C18H20N6/c1-24-15-5-3-2-4-13(15)21-18(24)12-8-11(12)14-9-16(23-19)22-17(20-14)10-6-7-10/h2-5,9-12H,6-8,19H2,1H3,(H,20,22,23)/t11-,12-/m1/s1
InChIKeyHDCDQXNOKZXHBP-VXGBXAGGSA-N
MW320.40 g/mol
LogP2.80
Rot. Bonds4

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

[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (PubChem CID 90166375) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
PubChem CID90166375
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine
SMILESCn1c([C@@H]2C[C@H]2c2cc(NN)nc(C3CC3)n2)nc2ccccc21
InChIInChI=1S/C18H20N6/c1-24-15-5-3-2-4-13(15)21-18(24)12-8-11(12)14-9-16(23-19)22-17(20-14)10-6-7-10/h2-5,9-12H,6-8,19H2,1H3,(H,20,22,23)/t11-,12-/m1/s1
InChIKeyHDCDQXNOKZXHBP-VXGBXAGGSA-N
XLogP2.80
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine (CID 90166375) is [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is Cn1c([C@@H]2C[C@H]2c2cc(NN)nc(C3CC3)n2)nc2ccccc21.
What is the InChIKey of [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
The InChIKey is HDCDQXNOKZXHBP-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H20N6/c1-24-15-5-3-2-4-13(15)21-18(24)12-8-11(12)14-9-16(23-19)22-17(20-14)10-6-7-10/h2-5,9-12H,6-8,19H2,1H3,(H,20,22,23)/t11-,12-/m1/s1.
What are the key properties of [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine has a molecular weight of 320.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 90166375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).