[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C15H18N6 — CID 63639806

IUPAC[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H18N6/c1-9(2)12-7-15(21-16)20-14(19-12)8-13-17-10-5-3-4-6-11(10)18-13/h3-7,9H,8,16H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyHCMOANJTQXLMSQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds4

About [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 63639806) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID63639806
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H18N6/c1-9(2)12-7-15(21-16)20-14(19-12)8-13-17-10-5-3-4-6-11(10)18-13/h3-7,9H,8,16H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyHCMOANJTQXLMSQ-UHFFFAOYSA-N
XLogP2.35
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.35
H-Bond Donors ≤ 53
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-(1H-benzimidazol-2-ylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 63639636
[2-[(2-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62252014
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
[2-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63639635
2-[(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637567
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64545302
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 63639806) is [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1cc(NN)nc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is HCMOANJTQXLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-9(2)12-7-15(21-16)20-14(19-12)8-13-17-10-5-3-4-6-11(10)18-13/h3-7,9H,8,16H2,1-2H3,(H,17,18)(H,19,20,21).
What are the key properties of [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63639806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).